thiadiazol-4-ylmethanethiol

C3H4N2S2 — CID 14370536

IUPACthiadiazol-4-ylmethanethiol
SMILESSCc1csnn1
InChIInChI=1S/C3H4N2S2/c6-1-3-2-7-5-4-3/h2,6H,1H2
InChIKeyUUUPGNKUKNGMGR-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.97
Rot. Bonds1

About thiadiazol-4-ylmethanethiol

thiadiazol-4-ylmethanethiol (PubChem CID 14370536) has the molecular formula C3H4N2S2 and a molecular weight of 132.21 g/mol. Its IUPAC name is thiadiazol-4-ylmethanethiol.

Molecular Properties

Compound Namethiadiazol-4-ylmethanethiol
PubChem CID14370536
Molecular FormulaC3H4N2S2
Molecular Weight132.21 g/mol
Exact Mass131.98
IUPAC Namethiadiazol-4-ylmethanethiol
SMILESSCc1csnn1
InChIInChI=1S/C3H4N2S2/c6-1-3-2-7-5-4-3/h2,6H,1H2
InChIKeyUUUPGNKUKNGMGR-UHFFFAOYSA-N
XLogP0.97
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-ylmethanethiol?
The IUPAC name of thiadiazol-4-ylmethanethiol (CID 14370536) is thiadiazol-4-ylmethanethiol.
What is the SMILES notation for thiadiazol-4-ylmethanethiol?
The canonical SMILES for thiadiazol-4-ylmethanethiol is SCc1csnn1.
What is the InChIKey of thiadiazol-4-ylmethanethiol?
The InChIKey is UUUPGNKUKNGMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S2/c6-1-3-2-7-5-4-3/h2,6H,1H2.
What are the key properties of thiadiazol-4-ylmethanethiol?
thiadiazol-4-ylmethanethiol has a molecular weight of 132.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-ylmethanethiol is sourced from PubChem (CID 14370536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).