2-(2-chloroethyl)-4,6,7,8-tetrahydro-5H-thieno[3,2-b]azepin-5-one

HCID 21472012
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Basic information

Standard SMILES
O=C1CCCc2sc(CCCl)cc2N1
InChIKey
SKMVGLDXVHBUAF-UHFFFAOYSA-N
Molecular formula
C10H12ClNOS
Average molar mass
229.73 g/mol

Names & identifiers

Preferred name
2-(2-chloroethyl)-4,6,7,8-tetrahydro-5H-thieno[3,2-b]azepin-5-one
IUPAC
2-(2-chloroethyl)-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one

Names & synonyms

SCHEMBL8917940SKMVGLDXVHBUAF-UHFFFAOYSA-N2-(2-chloroethyl)-4,6,7,8-tetrahydro-5H-thieno[3,2-b]azepin-5-one

Database identifiers

PubChem CID
21472012

Properties

Computed structural properties

XLogP
2
Topological polar surface area
57.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Related reactions

9 records
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Compound notes

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