7-methyl-4-methylsulfanyl-4H-azepine

C8H11NS — CID 167149974

IUPAC7-methyl-4-methylsulfanyl-4H-azepine
SMILESCSC1C=CN=C(C)C=C1
InChIInChI=1S/C8H11NS/c1-7-3-4-8(10-2)5-6-9-7/h3-6,8H,1-2H3
InChIKeyAXDJJIDKSLHWOE-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.26
Rot. Bonds1

About 7-methyl-4-methylsulfanyl-4H-azepine

7-methyl-4-methylsulfanyl-4H-azepine (PubChem CID 167149974) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 7-methyl-4-methylsulfanyl-4H-azepine.

Molecular Properties

Compound Name7-methyl-4-methylsulfanyl-4H-azepine
PubChem CID167149974
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name7-methyl-4-methylsulfanyl-4H-azepine
SMILESCSC1C=CN=C(C)C=C1
InChIInChI=1S/C8H11NS/c1-7-3-4-8(10-2)5-6-9-7/h3-6,8H,1-2H3
InChIKeyAXDJJIDKSLHWOE-UHFFFAOYSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylsulfanyl-4H-azepine?
The IUPAC name of 7-methyl-4-methylsulfanyl-4H-azepine (CID 167149974) is 7-methyl-4-methylsulfanyl-4H-azepine.
What is the SMILES notation for 7-methyl-4-methylsulfanyl-4H-azepine?
The canonical SMILES for 7-methyl-4-methylsulfanyl-4H-azepine is CSC1C=CN=C(C)C=C1.
What is the InChIKey of 7-methyl-4-methylsulfanyl-4H-azepine?
The InChIKey is AXDJJIDKSLHWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-7-3-4-8(10-2)5-6-9-7/h3-6,8H,1-2H3.
What are the key properties of 7-methyl-4-methylsulfanyl-4H-azepine?
7-methyl-4-methylsulfanyl-4H-azepine has a molecular weight of 153.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylsulfanyl-4H-azepine is sourced from PubChem (CID 167149974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).