4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole

C10H6N2S3 — CID 11807088

IUPAC4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole
SMILESC(=C1Sc2ccccc2S1)c1csnn1
InChIInChI=1S/C10H6N2S3/c1-2-4-9-8(3-1)14-10(15-9)5-7-6-13-12-11-7/h1-6H
InChIKeySIPALBSCRZVOCY-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.73
Rot. Bonds1

About 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole

4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole (PubChem CID 11807088) has the molecular formula C10H6N2S3 and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole.

Molecular Properties

Compound Name4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole
PubChem CID11807088
Molecular FormulaC10H6N2S3
Molecular Weight250.37 g/mol
Exact Mass249.97
IUPAC Name4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole
SMILESC(=C1Sc2ccccc2S1)c1csnn1
InChIInChI=1S/C10H6N2S3/c1-2-4-9-8(3-1)14-10(15-9)5-7-6-13-12-11-7/h1-6H
InChIKeySIPALBSCRZVOCY-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole?
The IUPAC name of 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole (CID 11807088) is 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole.
What is the SMILES notation for 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole?
The canonical SMILES for 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole is C(=C1Sc2ccccc2S1)c1csnn1.
What is the InChIKey of 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole?
The InChIKey is SIPALBSCRZVOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S3/c1-2-4-9-8(3-1)14-10(15-9)5-7-6-13-12-11-7/h1-6H.
What are the key properties of 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole?
4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole has a molecular weight of 250.37 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodithiol-2-ylidenemethyl)thiadiazole is sourced from PubChem (CID 11807088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).