5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine

C5H9N3S3 — CID 18777792

IUPAC5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCSCCSc1nnc(N)s1
InChIInChI=1S/C5H9N3S3/c1-9-2-3-10-5-8-7-4(6)11-5/h2-3H2,1H3,(H2,6,7)
InChIKeyODQKFFXWUUIGOM-UHFFFAOYSA-N
MW207.35 g/mol
LogP1.58
Rot. Bonds4

About 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 18777792) has the molecular formula C5H9N3S3 and a molecular weight of 207.35 g/mol. Its IUPAC name is 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID18777792
Molecular FormulaC5H9N3S3
Molecular Weight207.35 g/mol
Exact Mass207.00
IUPAC Name5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCSCCSc1nnc(N)s1
InChIInChI=1S/C5H9N3S3/c1-9-2-3-10-5-8-7-4(6)11-5/h2-3H2,1H3,(H2,6,7)
InChIKeyODQKFFXWUUIGOM-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 18777792) is 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine is CSCCSc1nnc(N)s1.
What is the InChIKey of 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ODQKFFXWUUIGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S3/c1-9-2-3-10-5-8-7-4(6)11-5/h2-3H2,1H3,(H2,6,7).
What are the key properties of 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 207.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18777792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).