CID 175264044

H4ClNS2 — CID 175264044

IUPAC—
SMILESCl.SNS
InChIInChI=1S/ClH.H3NS2/c;2-1-3/h1H;1-3H
InChIKeyPWSRBALQAYBHNY-UHFFFAOYSA-N
MW117.63 g/mol
LogP0.69
Rot. Bonds

About CID 175264044

CID 175264044 (PubChem CID 175264044) has the molecular formula H4ClNS2 and a molecular weight of 117.63 g/mol.

Molecular Properties

Compound NameCID 175264044
PubChem CID175264044
Molecular FormulaH4ClNS2
Molecular Weight117.63 g/mol
Exact Mass116.95
IUPAC Name—
SMILESCl.SNS
InChIInChI=1S/ClH.H3NS2/c;2-1-3/h1H;1-3H
InChIKeyPWSRBALQAYBHNY-UHFFFAOYSA-N
XLogP0.69
TPSA12.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.63
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 CID 175264044?
The IUPAC name of CID 175264044 (CID 175264044) is not available.
What is the SMILES notation for CID 175264044?
The canonical SMILES for CID 175264044 is Cl.SNS.
What is the InChIKey of CID 175264044?
The InChIKey is PWSRBALQAYBHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.H3NS2/c;2-1-3/h1H;1-3H.
What are the key properties of CID 175264044?
CID 175264044 has a molecular weight of 117.63 g/mol, XLogP of 0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175264044 is sourced from PubChem (CID 175264044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).