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

C8H11NS — CID 144617439

IUPAC4-methyl-7-methylsulfanyl-4H-azepine
SMILESCSC1=NC=CC(C)C=C1
InChIInChI=1S/C8H11NS/c1-7-3-4-8(10-2)9-6-5-7/h3-7H,1-2H3
InChIKeyFFORONHRARTKAH-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.47
Rot. Bonds

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

4-methyl-7-methylsulfanyl-4H-azepine (PubChem CID 144617439) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-methyl-7-methylsulfanyl-4H-azepine.

Molecular Properties

Compound Name4-methyl-7-methylsulfanyl-4H-azepine
PubChem CID144617439
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-methyl-7-methylsulfanyl-4H-azepine
SMILESCSC1=NC=CC(C)C=C1
InChIInChI=1S/C8H11NS/c1-7-3-4-8(10-2)9-6-5-7/h3-7H,1-2H3
InChIKeyFFORONHRARTKAH-UHFFFAOYSA-N
XLogP2.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-6-methylsulfanyl-2,3-dihydropyridine
CID 68102658
4-Methyl-4-methylsulfanylazepine
CID 138721240
ethane;(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864707
5-methylsulfanyl-4H-azepine
CID 142217342
4,4-Dimethyl-7-methylsulfanylazepine
CID 143885496
ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891117
ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
CID 143891680
ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
CID 143891713
7-methyl-4-methylsulfanyl-4H-azepine
CID 167149974
(Z)-4-methylsulfanyl-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 141864708
5-[(Z)-but-2-enyl]-7-methylsulfanyl-4H-azepine
CID 143115900
ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891118

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-methylsulfanyl-4H-azepine?
The IUPAC name of 4-methyl-7-methylsulfanyl-4H-azepine (CID 144617439) is 4-methyl-7-methylsulfanyl-4H-azepine.
What is the SMILES notation for 4-methyl-7-methylsulfanyl-4H-azepine?
The canonical SMILES for 4-methyl-7-methylsulfanyl-4H-azepine is CSC1=NC=CC(C)C=C1.
What is the InChIKey of 4-methyl-7-methylsulfanyl-4H-azepine?
The InChIKey is FFORONHRARTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-7-3-4-8(10-2)9-6-5-7/h3-7H,1-2H3.
What are the key properties of 4-methyl-7-methylsulfanyl-4H-azepine?
4-methyl-7-methylsulfanyl-4H-azepine has a molecular weight of 153.25 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-methylsulfanyl-4H-azepine is sourced from PubChem (CID 144617439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).