Thiourea - Premium-Grade Reagents, ≥99% , CAS No.62-56-6

CAS: 62-56-6 Cat. No.: T112512 Formula: CH₄N₂S Molecular Weight: 76.12 Beilstein Registry Number: 605327 EC Number: 200-543-5 PubChem CID: 2723790

GRADE & PURITY Premium-Grade Reagents, ≥99%

Synonyms

2-Thiopseudourea | 2-Thio-Pseudourea | CHEBI:36946 | NCGC00259422-01 | Thiomocovina | THIOUREA [INCI] | NSC 5033 | thiopseudourea | T0445 | aminothioamide | NCGC00091199-01 | Thiokarbamid | UN 2877 | BCP27948 | GYV9AM2QAG | Sulfouren | S C (N H2)2 | (NH2)

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

2-Thiopseudourea | 2-Thio-Pseudourea | CHEBI:36946 | NCGC00259422-01 | Thiomocovina | THIOUREA [INCI] | NSC 5033 | thiopseudourea | T0445 | aminothioamide | NCGC00091199-01 | Thiokarbamid | UN 2877 | BCP27948 | GYV9AM2QAG | Sulfouren | S C (N H2)2 | (NH2)

Specifications & Purity

Premium-Grade Reagents, ≥99%

Biochemical and Physiological Mechanisms

Thiourea is a free radical scavenger of the peroxide radical. It was shown to inhibit lipid peroxidation and ultraviolet (UV)-induced crosslinking of collagen. Bud dormancy in plants can be inhibited by thiourea which is used as a growth stimulator. It is

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

Premium-Grade Reagents

Purity

≥99%

Names and Identifiers

Pubchem Sid

508815330

Canonical Smiles

C(=S)(N)N

IUPAC Name

thiourea

InChIKey

UMGDCJDMYOKAJW-UHFFFAOYSA-N

INCHI

1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)

Isomeric SMILES

C(=S)(N)N

WGK Germany

2

RTECS

YU2800000

PubChem CID

2723790

UN Number

2811

Packing Group

I

Molecular Weight

76.12

Beilstein

605327

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioureas
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thioureas. These are organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with a thiocarbonyl group.
• External Descriptors: one-carbon compound - ureas - thioureas

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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATM Tchem Serine-protein kinase ATM (4198 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATR Tchem Serine-protein kinase ATR (986 Activities)

Discover Target: ATR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADH1A Tclin Alcohol dehydrogenase (35 Activities)

Discover Target: ADH1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Escherichia coli (133304 Activities)

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Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Poliovirus 1 (1274 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Urease (750 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ureB Urease subunit alpha/Urease subunit beta (701 Activities)

Discover Target: ureB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Degree of Solubility in water: 142 g/l 25 °C; Soluble in Alcohol; Very slightly soluble in Ether
• Sensitivity: Air Sensitive
• Melt Point(°C): 182°C
• Molecular Weight: 76.120 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 76.0095 Da
• Monoisotopic Mass: 76.0095 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 29.000
• 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