Basic information
- CAS
121654-84-0- Standard SMILES
O=C(Cl)C1CCSCC1- InChIKey
RJRIIGFPFQOTNF-UHFFFAOYSA-N- Molecular formula
- C6H9ClOS
- Average molar mass
- 164.65 g/mol
- Monoisotopic mass
- 164.00626359
Names & identifiers
- Preferred name
- Thiane-4-carbonyl chloride
- IUPAC
- thiane-4-carbonyl chloride
- English name
- 2H-Thiopyran-4-carbonyl chloride, tetrahydro- (9CI)
- Molecular formula
- C6H9ClOS
- Molecular weight
- 164.65
Names & synonyms
thiane-4-carbonyl chloride121654-84-0tetrahydro-2h-thiopyran-4-carbonyl chloride2H-Thiopyran-4-carbonyl chloride, tetrahydro- (9CI)tetrahydrothiopyran-4-carbonyl chloridetetrahydro-thiopyran-4-carbonyl chlorideSCHEMBL4708811DTXSID50561515RJRIIGFPFQOTNF-UHFFFAOYSA-NSBB087856AKOS006282265MS-22536
Show more names
2H-Thiopyran-4-carbonyl chloride, tetrahydro-
tetrahydro-2h-thiopyran-4-carbonylchlorideDB-061946CS-0046009
Database identifiers
- CAS
121654-84-0- PubChem CID
- 14547368
- DTXSID
DTXSID50561515- Nikkaji
- J3.432.752A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 233.4 · 233.4±33.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 121654 · 121654-84-0
Chemistry & industry
Suppliers11 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
南京普锐达医药科技有限公司15905142898 · [email protected]
Related reactions
3 records
Compound notes
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