4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine

C9H11NS2 — CID 14978128

IUPAC4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine
SMILESCSC1=NCCCc2sccc21
InChIInChI=1S/C9H11NS2/c1-11-9-7-4-6-12-8(7)3-2-5-10-9/h4,6H,2-3,5H2,1H3
InChIKeyAOAUWPSCARBDTM-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.80
Rot. Bonds

About 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine

4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine (PubChem CID 14978128) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine.

Molecular Properties

Compound Name4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine
PubChem CID14978128
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine
SMILESCSC1=NCCCc2sccc21
InChIInChI=1S/C9H11NS2/c1-11-9-7-4-6-12-8(7)3-2-5-10-9/h4,6H,2-3,5H2,1H3
InChIKeyAOAUWPSCARBDTM-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine?
The IUPAC name of 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine (CID 14978128) is 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine.
What is the SMILES notation for 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine?
The canonical SMILES for 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine is CSC1=NCCCc2sccc21.
What is the InChIKey of 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine?
The InChIKey is AOAUWPSCARBDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-11-9-7-4-6-12-8(7)3-2-5-10-9/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine?
4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine has a molecular weight of 197.33 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-7,8-dihydro-6H-thieno[3,2-c]azepine is sourced from PubChem (CID 14978128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).