3-Methyl-3-butene-1-thiol

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Basic information

CAS: 58156-49-3
Standard SMILES: C=C(C)CCS
InChIKey: VSKYJOJQOKKIPN-UHFFFAOYSA-N
Molecular formula: C5H10S
Average molar mass: 102.2 g/mol
Monoisotopic mass: 102.05032149

Names & identifiers

Preferred name: 3-Methyl-3-butene-1-thiol
IUPAC: 3-methylbut-3-ene-1-thiol

Names & synonyms

3-Methyl-3-butene-1-thiol58156-49-3FEMA NO. 50067M4FEU3962RefChem:10682213-methylbut-3-ene-1-thiolisopentenyl mercaptanSCHEMBL129375SCHEMBL129376SCHEMBL83214393-Butene-1-thiol, 3-methyl-VSKYJOJQOKKIPN-UHFFFAOYSA-N

Show more names

EN300-1845136

Database identifiers

CAS: 58156-49-3
PubChem CID: 534532
UNII: 7M4FEU3962
Nikkaji: J591.310A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 47.9

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Compound notes

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