6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine

C7H6N2S2 — CID 70374495

IUPAC6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine
SMILESS=S1CC=C2N=CC=NC=C21
InChIInChI=1S/C7H6N2S2/c10-11-4-1-6-7(11)5-8-2-3-9-6/h1-3,5H,4H2
InChIKeyQJOLEEUZPTVJKA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.96
Rot. Bonds

About 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine

6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine (PubChem CID 70374495) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine.

Molecular Properties

Compound Name6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine
PubChem CID70374495
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine
SMILESS=S1CC=C2N=CC=NC=C21
InChIInChI=1S/C7H6N2S2/c10-11-4-1-6-7(11)5-8-2-3-9-6/h1-3,5H,4H2
InChIKeyQJOLEEUZPTVJKA-UHFFFAOYSA-N
XLogP0.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine?
The IUPAC name of 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine (CID 70374495) is 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine.
What is the SMILES notation for 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine?
The canonical SMILES for 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine is S=S1CC=C2N=CC=NC=C21.
What is the InChIKey of 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine?
The InChIKey is QJOLEEUZPTVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c10-11-4-1-6-7(11)5-8-2-3-9-6/h1-3,5H,4H2.
What are the key properties of 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine?
6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine has a molecular weight of 182.27 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylidene-7H-thieno[3,2-e][1,4]diazepine is sourced from PubChem (CID 70374495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).