CID 174819127

H3ClN2S — CID 174819127

IUPAC—
SMILESCl.NN=S
InChIInChI=1S/ClH.H2N2S/c;1-2-3/h1H;(H2,1,3)
InChIKeyYXDRDKYMJDVIPB-UHFFFAOYSA-N
MW98.56 g/mol
LogP0.01
Rot. Bonds

About CID 174819127

CID 174819127 (PubChem CID 174819127) has the molecular formula H3ClN2S and a molecular weight of 98.56 g/mol.

Molecular Properties

Compound NameCID 174819127
PubChem CID174819127
Molecular FormulaH3ClN2S
Molecular Weight98.56 g/mol
Exact Mass97.97
IUPAC Name—
SMILESCl.NN=S
InChIInChI=1S/ClH.H2N2S/c;1-2-3/h1H;(H2,1,3)
InChIKeyYXDRDKYMJDVIPB-UHFFFAOYSA-N
XLogP0.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.56
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174819127?
The IUPAC name of CID 174819127 (CID 174819127) is not available.
What is the SMILES notation for CID 174819127?
The canonical SMILES for CID 174819127 is Cl.NN=S.
What is the InChIKey of CID 174819127?
The InChIKey is YXDRDKYMJDVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.H2N2S/c;1-2-3/h1H;(H2,1,3).
What are the key properties of CID 174819127?
CID 174819127 has a molecular weight of 98.56 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174819127 is sourced from PubChem (CID 174819127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).