6-(1-ethenylsulfanylethenyl)-4H-azepine

C10H11NS — CID 143076341

IUPAC6-(1-ethenylsulfanylethenyl)-4H-azepine
SMILESC=CSC(=C)C1=CCC=CN=C1
InChIInChI=1S/C10H11NS/c1-3-12-9(2)10-6-4-5-7-11-8-10/h3,5-8H,1-2,4H2
InChIKeyDYAUTFDUSBMNHL-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.29
Rot. Bonds3

About 6-(1-ethenylsulfanylethenyl)-4H-azepine

6-(1-ethenylsulfanylethenyl)-4H-azepine (PubChem CID 143076341) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 6-(1-ethenylsulfanylethenyl)-4H-azepine.

Molecular Properties

Compound Name6-(1-ethenylsulfanylethenyl)-4H-azepine
PubChem CID143076341
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name6-(1-ethenylsulfanylethenyl)-4H-azepine
SMILESC=CSC(=C)C1=CCC=CN=C1
InChIInChI=1S/C10H11NS/c1-3-12-9(2)10-6-4-5-7-11-8-10/h3,5-8H,1-2,4H2
InChIKeyDYAUTFDUSBMNHL-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-dihydro-1H-thieno[3,4-d]azepine
CID 57099393
2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[2,3-d]azepine
CID 67205879
3H-thieno[3,4-d]azepine
CID 67753477
2-(Cyclohexen-1-yl)-1,4-thiazepine
CID 68637312
2H-thieno[3,2-c]azepine
CID 70463907
5H-thieno[2,3-c]azepine
CID 90974805
(3aZ,7Z,9E)-thieno[3,2-c]azocine
CID 139776980
2H-thieno[3,2-i][3]benzazepine
CID 140968436
Thiopyrano[2,3-c]azepine
CID 141202666
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
ethane;[(1E,3E,4Z)-3-ethylidenehepta-1,4-dienyl] N,5-dimethyl-4H-azepine-6-carboximidothioate
CID 142225858

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethenylsulfanylethenyl)-4H-azepine?
The IUPAC name of 6-(1-ethenylsulfanylethenyl)-4H-azepine (CID 143076341) is 6-(1-ethenylsulfanylethenyl)-4H-azepine.
What is the SMILES notation for 6-(1-ethenylsulfanylethenyl)-4H-azepine?
The canonical SMILES for 6-(1-ethenylsulfanylethenyl)-4H-azepine is C=CSC(=C)C1=CCC=CN=C1.
What is the InChIKey of 6-(1-ethenylsulfanylethenyl)-4H-azepine?
The InChIKey is DYAUTFDUSBMNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-12-9(2)10-6-4-5-7-11-8-10/h3,5-8H,1-2,4H2.
What are the key properties of 6-(1-ethenylsulfanylethenyl)-4H-azepine?
6-(1-ethenylsulfanylethenyl)-4H-azepine has a molecular weight of 177.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethenylsulfanylethenyl)-4H-azepine is sourced from PubChem (CID 143076341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).