carbamodithioic acid;thiadiazole

C3H5N3S3 — CID 22648771

IUPACcarbamodithioic acid;thiadiazole
SMILESNC(=S)S.c1csnn1
InChIInChI=1S/C2H2N2S.CH3NS2/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H3,2,3,4)
InChIKeyVIETWLUYZIGNSR-UHFFFAOYSA-N
MW179.30 g/mol
LogP0.70
Rot. Bonds

About carbamodithioic acid;thiadiazole

carbamodithioic acid;thiadiazole (PubChem CID 22648771) has the molecular formula C3H5N3S3 and a molecular weight of 179.30 g/mol. Its IUPAC name is carbamodithioic acid;thiadiazole.

Molecular Properties

Compound Namecarbamodithioic acid;thiadiazole
PubChem CID22648771
Molecular FormulaC3H5N3S3
Molecular Weight179.30 g/mol
Exact Mass178.96
IUPAC Namecarbamodithioic acid;thiadiazole
SMILESNC(=S)S.c1csnn1
InChIInChI=1S/C2H2N2S.CH3NS2/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H3,2,3,4)
InChIKeyVIETWLUYZIGNSR-UHFFFAOYSA-N
XLogP0.70
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbamodithioic acid;thiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;thiadiazole?
The IUPAC name of carbamodithioic acid;thiadiazole (CID 22648771) is carbamodithioic acid;thiadiazole.
What is the SMILES notation for carbamodithioic acid;thiadiazole?
The canonical SMILES for carbamodithioic acid;thiadiazole is NC(=S)S.c1csnn1.
What is the InChIKey of carbamodithioic acid;thiadiazole?
The InChIKey is VIETWLUYZIGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S.CH3NS2/c1-2-5-4-3-1;2-1(3)4/h1-2H;(H3,2,3,4).
What are the key properties of carbamodithioic acid;thiadiazole?
carbamodithioic acid;thiadiazole has a molecular weight of 179.30 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;thiadiazole is sourced from PubChem (CID 22648771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).