5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione

C6H8N2S3 — CID 2747559

IUPAC5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCC2CC2)s1
InChIInChI=1S/C6H8N2S3/c9-5-7-8-6(11-5)10-3-4-1-2-4/h4H,1-3H2,(H,7,9)
InChIKeyRRISNQKVUMJONS-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.70
Rot. Bonds3

About 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione

5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione (PubChem CID 2747559) has the molecular formula C6H8N2S3 and a molecular weight of 204.34 g/mol. Its IUPAC name is 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
PubChem CID2747559
Molecular FormulaC6H8N2S3
Molecular Weight204.34 g/mol
Exact Mass203.98
IUPAC Name5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
SMILESS=c1[nH]nc(SCC2CC2)s1
InChIInChI=1S/C6H8N2S3/c9-5-7-8-6(11-5)10-3-4-1-2-4/h4H,1-3H2,(H,7,9)
InChIKeyRRISNQKVUMJONS-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione (CID 2747559) is 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione is S=c1[nH]nc(SCC2CC2)s1.
What is the InChIKey of 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is RRISNQKVUMJONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S3/c9-5-7-8-6(11-5)10-3-4-1-2-4/h4H,1-3H2,(H,7,9).
What are the key properties of 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione?
5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 204.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 2747559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).