5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione

C6H6N4S6 — CID 2735523

IUPAC5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCCSc2n[nH]c(=S)s2)s1
InChIInChI=1S/C6H6N4S6/c11-3-7-9-5(15-3)13-1-2-14-6-10-8-4(12)16-6/h1-2H2,(H,7,11)(H,8,12)
InChIKeyPVMJDOURKFUWGA-UHFFFAOYSA-N
MW326.54 g/mol
LogP3.60
Rot. Bonds5

About 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione

5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 2735523) has the molecular formula C6H6N4S6 and a molecular weight of 326.54 g/mol. Its IUPAC name is 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
PubChem CID2735523
Molecular FormulaC6H6N4S6
Molecular Weight326.54 g/mol
Exact Mass325.89
IUPAC Name5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCCSc2n[nH]c(=S)s2)s1
InChIInChI=1S/C6H6N4S6/c11-3-7-9-5(15-3)13-1-2-14-6-10-8-4(12)16-6/h1-2H2,(H,7,11)(H,8,12)
InChIKeyPVMJDOURKFUWGA-UHFFFAOYSA-N
XLogP3.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione with MolForge

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

Launch Full Analysis

Related Compounds

5-(Ethylsulfanyl)-1,3,4-thiadiazole-2(3H)-thione
CID 1201366
5,5'-(Tetramethylenedithio)di-1,3,4-thiadiazole-2-thiol
CID 3034153
5-{[2-(Methylsulfanyl)ethyl]sulfanyl}-1,3,4-thiadiazole-2(3H)-thione
CID 13931852
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 21357250
5-[1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 57012659
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propan-2-ylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 57024362
CID 59093732
CID 59093732
5-(2-sulfanylethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
CID 91298531
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 141537356
CID 142060271
CID 142060271
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 147081222
CID 157161676
CID 157161676

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione (CID 2735523) is 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(SCCSc2n[nH]c(=S)s2)s1.
What is the InChIKey of 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is PVMJDOURKFUWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S6/c11-3-7-9-5(15-3)13-1-2-14-6-10-8-4(12)16-6/h1-2H2,(H,7,11)(H,8,12).
What are the key properties of 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 326.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 2735523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).