s-methyl methanethiosulfonate - ≥97%(GC), stabilized with 5%-10%CH2Cl2 and Hac , CAS No.2949-92-0

CAS: 2949-92-0 Cat. No.: S133305 Molecular Weight: 126.19 Beilstein Registry Number: 4(4)31 EC Number: 220-970-0 PubChem CID: 18064

GRADE & PURITY ≥97%(GC), stabilized with 5%-10%CH2Cl2 and Hac

Synonyms

MMTS | S-Methyl methanethiosulfonate, 97% | NSC21545 | NSC-21545 | Methyl methanethiolsulfonate | methyl methanethiol-sulfonate | BBL104000 | H10854 | Methyl methanethiosulfonate | METHYL METHANETHIO-SULFONATE | DTXSID8062739 | UNII-0906Z2356U | InChI=1/C

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

nteraction of S-methyl methanethiosulfonate (MMTS) with dipalmitoylphosphatidylcholine (DPPC) bilayers has been investigated by FTIR and surface-enhanced Raman spectroscopy

Specifications

Synonyms

MMTS | S-Methyl methanethiosulfonate, 97% | NSC21545 | NSC-21545 | Methyl methanethiolsulfonate | methyl methanethiol-sulfonate | BBL104000 | H10854 | Methyl methanethiosulfonate | METHYL METHANETHIO-SULFONATE | DTXSID8062739 | UNII-0906Z2356U | InChI=1/C

Specifications & Purity

≥97%(GC), stabilized with 5%-10%CH2Cl2 and Hac

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488182433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182433
• Canonical Smiles: CSS(=O)(=O)C
• IUPAC Name: methylsulfonylsulfanylmethane
• InChIKey: XYONNSVDNIRXKZ-UHFFFAOYSA-N
• INCHI: 1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
• Isomeric SMILES: CSS(=O)(=O)C
• WGK Germany: 2
• RTECS: PB2765000
• PubChem CID: 18064
• Molecular Weight: 126.19
• Beilstein: 4(4)31
• Reaxy-Rn: 1446059

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfonyls

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfonyls
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyls
• Alternative Parents: Sulfenyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonyls. These are compounds containing the sulfonyl group, with the general structure RS(=O)2R' ( R,R' must not be H).
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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Malme-3M (44254 Activities)

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MDA-MB-231 (73002 Activities)

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SNB-75 (44215 Activities)

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NCI-H226 (44470 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.513
• Flash Point(°F): 188.6 °F
• Flash Point(°C): 87 °C
• Boil Point(°C): 69-71 °C/0.4 mmHg
• Molecular Weight: 126.200 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 125.981 Da
• Monoisotopic Mass: 125.981 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 106.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Min Zhu, Xiaofang Fan, Nan Zhang, Hui Wang, Jianshe Ma, Xianghong Yin, Junyan Cai, Linjing Cong, Ran Chen, Junming Fan, Xiaoxia Kong, Bin Geng, Yongsheng Gong, Congkuo Du.  (2025)  Endothelial endogenous CSE/H2S inhibits endothelial pyroptosis by activating sirtuin1 to attenuate LPS-induced acute lung injury.  FASEB JOURNAL,  39  (5): (e70420).  [PMID:40028711] [10.1096/fj.202402042R]