Methyl propanedithioate

HCID 223580

Notes Reactions

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Basic information

CAS: 5415-95-2
Standard SMILES: CCC(=S)SC
InChIKey: WOADZFCEIJDRAS-UHFFFAOYSA-N
Molecular formula: C4H8S2
Average molar mass: 120.2 g/mol
Monoisotopic mass: 120.00674226

Names & identifiers

Preferred name: Methyl propanedithioate
IUPAC: methyl propanedithioate

Names & synonyms

methyl propanedithioate5415-95-2Propane(dithioic) acid, methyl estermethyl propane(dithioate)propanedithioic acid methyl esterNSC11322methyl dithiopropanoatemethyl dithiopropionateSCHEMBL760193DTXSID10279124WOADZFCEIJDRAS-UHFFFAOYSA-NNSC 11322

Show more names

NSC-11322

Database identifiers

CAS: 5415-95-2
PubChem CID: 223580
DTXSID: DTXSID10279124
Nikkaji: J2.096.814A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 57.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 49.5

Related reactions

6 records

New reaction record

HRID 201357As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 286720As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1464722As reactantuspto-grants-1994_04

HRID 1464723As reactantuspto-grants-1994_04

HRID 1464724As reactantuspto-grants-1994_04

HRID 2154439As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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