Allyl thioacetate

HCID 355644

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Basic information

CAS: 23973-51-5
Standard SMILES: C=CCSC(C)=O
InChIKey: MIRAUQNBKACECA-UHFFFAOYSA-N
Molecular formula: C5H8OS
Average molar mass: 116.18 g/mol
Monoisotopic mass: 116.02958605

Names & identifiers

Preferred name: Allyl thioacetate
IUPAC: S-prop-2-enyl ethanethioate
English name: Allylthioacetate
Molecular formula: C5H8OS
Molecular weight: 116.18

Names & synonyms

allyl thioacetateAllylthioacetateS-Allyl ethanethioateS-2-Propen-1-yl ethanethioateNSC609696SCHEMBL1445277CHEMBL1978794S-Prop-2-en-1-yl ethanethioateMIRAUQNBKACECA-UHFFFAOYSA-NDTXSID601307253AKOS015950854NSC-609696

Show more names

Allylthioacetate USP/EP/BPS-Prop-2-enyl ethanethioateEthanethioic acid, S-2-propen-1-yl esterS-Prop-2-enyl ethanethioate,Allylthioacetate

NCI60_004770

Database identifiers

CAS: 23973-51-5
PubChem CID: 355644
DTXSID: DTXSID601307253
ChEMBL: CHEMBL1978794
Nikkaji: J1.033.184F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 78.1

Physicochemical properties

LogP: 1.58 · 1.580 (est)

Chemistry & industry

Upstream & downstream products

Downstream products

2-Propene-1-sulfonyl chloride Allyl mercaptan

Suppliers22 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

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Compound notes

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