carbamodithioic acid;hydroiodide

CH4INS2 — CID 86734769

IUPACcarbamodithioic acid;hydroiodide
SMILESI.NC(=S)S
InChIInChI=1S/CH3NS2.HI/c2-1(3)4;/h(H3,2,3,4);1H
InChIKeyJNWJBIAPDBZUQL-UHFFFAOYSA-N
MW221.09 g/mol
LogP0.78
Rot. Bonds

About carbamodithioic acid;hydroiodide

carbamodithioic acid;hydroiodide (PubChem CID 86734769) has the molecular formula CH4INS2 and a molecular weight of 221.09 g/mol. Its IUPAC name is carbamodithioic acid;hydroiodide.

Molecular Properties

Compound Namecarbamodithioic acid;hydroiodide
PubChem CID86734769
Molecular FormulaCH4INS2
Molecular Weight221.09 g/mol
Exact Mass220.88
IUPAC Namecarbamodithioic acid;hydroiodide
SMILESI.NC(=S)S
InChIInChI=1S/CH3NS2.HI/c2-1(3)4;/h(H3,2,3,4);1H
InChIKeyJNWJBIAPDBZUQL-UHFFFAOYSA-N
XLogP0.78
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;hydroiodide?
The IUPAC name of carbamodithioic acid;hydroiodide (CID 86734769) is carbamodithioic acid;hydroiodide.
What is the SMILES notation for carbamodithioic acid;hydroiodide?
The canonical SMILES for carbamodithioic acid;hydroiodide is I.NC(=S)S.
What is the InChIKey of carbamodithioic acid;hydroiodide?
The InChIKey is JNWJBIAPDBZUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.HI/c2-1(3)4;/h(H3,2,3,4);1H.
What are the key properties of carbamodithioic acid;hydroiodide?
carbamodithioic acid;hydroiodide has a molecular weight of 221.09 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;hydroiodide is sourced from PubChem (CID 86734769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).