CID 140673899

C3H3N2S — CID 140673899

IUPAC—
SMILES[CH2]c1ncsn1
InChIInChI=1S/C3H3N2S/c1-3-4-2-6-5-3/h2H,1H2
InChIKeyOJTAJCFAWAAWLI-UHFFFAOYSA-N
MW99.14 g/mol
LogP0.72
Rot. Bonds

About CID 140673899

CID 140673899 (PubChem CID 140673899) has the molecular formula C3H3N2S and a molecular weight of 99.14 g/mol.

Molecular Properties

Compound NameCID 140673899
PubChem CID140673899
Molecular FormulaC3H3N2S
Molecular Weight99.14 g/mol
Exact Mass99.00
IUPAC Name—
SMILES[CH2]c1ncsn1
InChIInChI=1S/C3H3N2S/c1-3-4-2-6-5-3/h2H,1H2
InChIKeyOJTAJCFAWAAWLI-UHFFFAOYSA-N
XLogP0.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 140673899?
The IUPAC name of CID 140673899 (CID 140673899) is not available.
What is the SMILES notation for CID 140673899?
The canonical SMILES for CID 140673899 is [CH2]c1ncsn1.
What is the InChIKey of CID 140673899?
The InChIKey is OJTAJCFAWAAWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2S/c1-3-4-2-6-5-3/h2H,1H2.
What are the key properties of CID 140673899?
CID 140673899 has a molecular weight of 99.14 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140673899 is sourced from PubChem (CID 140673899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).