7-Methyl-3b,4,5,6,6a,7-hexahydro-1-thia-5-aza-cyclopenta[alpha]pentalene

HCID 59789425
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Basic information

Standard SMILES
CC1c2sccc2C2CNCC12
InChIKey
KVSLQPBNZFJUTR-UHFFFAOYSA-N
Molecular formula
C10H13NS
Average molar mass
179.28 g/mol

Names & identifiers

Preferred name
7-Methyl-3b,4,5,6,6a,7-hexahydro-1-thia-5-aza-cyclopenta[alpha]pentalene
IUPAC
7-methyl-9-thia-4-azatricyclo[6.3.0.02,6]undeca-1(8),10-diene

Names & synonyms

SCHEMBL4251883KVSLQPBNZFJUTR-UHFFFAOYSA-N7-Methyl-3b,4,5,6,6a,7-hexahydro-1-thia-5-aza-cyclopenta[alpha]pentalene

Database identifiers

PubChem CID
59789425

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
40.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Related reactions

2 records
New reaction record

Linked notes

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