1-Chloro-3-(ethylsulfanyl)propane

HCID 13623345

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Basic information

CAS: 4911-66-4
Standard SMILES: CCSCCCCl
InChIKey: XOTPAYJAGMCAEY-UHFFFAOYSA-N
Molecular formula: C5H11ClS
Average molar mass: 138.66 g/mol
Monoisotopic mass: 138.0269992

Names & identifiers

Preferred name: 1-Chloro-3-(ethylsulfanyl)propane
IUPAC: 1-chloro-3-ethylsulfanylpropane

Names & synonyms

1-chloro-3-ethylsulfanyl-propane3-Ethylthiopropyl chloride4911-66-4SCHEMBL4880372SCHEMBL7606299DTXSID30545252XOTPAYJAGMCAEY-UHFFFAOYSA-NAKOS0057668021-CHLORO-3-(ETHYLSULFANYL)PROPANE

Database identifiers

CAS: 4911-66-4
PubChem CID: 13623345
DTXSID: DTXSID30545252

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 31.3

Experimental & physicochemical properties

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Related reactions

1 records

New reaction record

HRID 1417132As reactantuspto-grants-1999_03

Compound notes

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