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

C8H10N4S6 — CID 3034153

IUPAC5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCCCCSc2n[nH]c(=S)s2)s1
InChIInChI=1S/C8H10N4S6/c13-5-9-11-7(17-5)15-3-1-2-4-16-8-12-10-6(14)18-8/h1-4H2,(H,9,13)(H,10,14)
InChIKeyHZYLUFQBDSTRLP-UHFFFAOYSA-N
MW354.60 g/mol
LogP4.38
Rot. Bonds7

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

5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 3034153) has the molecular formula C8H10N4S6 and a molecular weight of 354.60 g/mol. Its IUPAC name is 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
PubChem CID3034153
Molecular FormulaC8H10N4S6
Molecular Weight354.60 g/mol
Exact Mass353.92
IUPAC Name5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCCCCSc2n[nH]c(=S)s2)s1
InChIInChI=1S/C8H10N4S6/c13-5-9-11-7(17-5)15-3-1-2-4-16-8-12-10-6(14)18-8/h1-4H2,(H,9,13)(H,10,14)
InChIKeyHZYLUFQBDSTRLP-UHFFFAOYSA-N
XLogP4.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.60
LogP ≤ 54.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione (CID 3034153) is 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(SCCCCSc2n[nH]c(=S)s2)s1.
What is the InChIKey of 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is HZYLUFQBDSTRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S6/c13-5-9-11-7(17-5)15-3-1-2-4-16-8-12-10-6(14)18-8/h1-4H2,(H,9,13)(H,10,14).
What are the key properties of 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione?
5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 354.60 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butylsulfanyl]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 3034153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).