n-butyl N-chlorothio-N-methylcarbamate

HCID 13367232
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Basic information

Standard SMILES
CCCCOC(=O)N(C)SCl
InChIKey
SJMGTEDVEITXQR-UHFFFAOYSA-N
Molecular formula
C6H12ClNO2S
Average molar mass
197.68 g/mol
Monoisotopic mass
197.0277275

Names & identifiers

Preferred name
n-butyl N-chlorothio-N-methylcarbamate
IUPAC
butyl N-chlorosulfanyl-N-methylcarbamate

Names & synonyms

SCHEMBL10798189SJMGTEDVEITXQR-UHFFFAOYSA-Nn-butyl N-chlorothio-N-methylcarbamate

Database identifiers

PubChem CID
13367232
Nikkaji
J243.076B

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
54.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
11

Related reactions

2 records
New reaction record

Linked notes

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