Pentamethylene Sulfide - ≥98%(GC) , CAS No.1613-51-0

CAS: 1613-51-0 Cat. No.: P160345 Molecular Weight: 102.2 Beilstein Registry Number: 17,12 EC Number: 216-561-1 PubChem CID: 15367
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
Thiane | EN300-155089 | P9BB3YF628 | Tetrahydrothiopyran | tetrahydro-thiopyran | FT-0633708 | AKOS015903942 | DTXSID60167108 | MFCD00006662 | SCHEMBL4268008 | A810254 | InChI=1/C5H10S/c1-2-4-6-5-3-1/h1-5H | 2H-Thiopyran, tetrahydro- | Tetrahydrothiapyran
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
5g
P160345-5g
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$105.90
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Thiane | EN300-155089 | P9BB3YF628 | Tetrahydrothiopyran | tetrahydro-thiopyran | FT-0633708 | AKOS015903942 | DTXSID60167108 | MFCD00006662 | SCHEMBL4268008 | A810254 | InChI=1/C5H10S/c1-2-4-6-5-3-1/h1-5H | 2H-Thiopyran, tetrahydro- | Tetrahydrothiapyran
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Canonical SmilesC1CCSCC1
IUPAC Namethiane
InChIKeyYPWFISCTZQNZAU-UHFFFAOYSA-N
INCHI1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
Isomeric SMILES C1CCSCC1
PubChem CID 15367
Molecular Weight 102.2
Beilstein 17,12
Reaxy-Rn 102437

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassThianes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThianes
Alternative Parents Dialkylthioethers  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Thiane - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityInsoluble in water
SensitivityAir Sensitive
Refractive Index1.51
Flash Point(°F)21°C(lit.)
Flash Point(°C)21°C(lit.)
Boil Point(°C)140°C
Melt Point(°C)13 °C
Molecular Weight102.200 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass102.05 Da
Monoisotopic Mass102.05 Da
Topological Polar Surface Area25.300 Ų
Heavy Atom Count6
Formal Charge0
Complexity30.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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