CID 174714129

CH3ClN2O2S — CID 174714129

IUPAC—
SMILESC[N+](=O)[O-].S=NCl
InChIInChI=1S/CH3NO2.ClNS/c1-2(3)4;1-2-3/h1H3;
InChIKeyZKBWPXMYGXMUGR-UHFFFAOYSA-N
MW142.57 g/mol
LogP0.76
Rot. Bonds

About CID 174714129

CID 174714129 (PubChem CID 174714129) has the molecular formula CH3ClN2O2S and a molecular weight of 142.57 g/mol.

Molecular Properties

Compound NameCID 174714129
PubChem CID174714129
Molecular FormulaCH3ClN2O2S
Molecular Weight142.57 g/mol
Exact Mass141.96
IUPAC Name—
SMILESC[N+](=O)[O-].S=NCl
InChIInChI=1S/CH3NO2.ClNS/c1-2(3)4;1-2-3/h1H3;
InChIKeyZKBWPXMYGXMUGR-UHFFFAOYSA-N
XLogP0.76
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.57
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 22182872
2,2-dimethylpropane trinitrate
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Frequently Asked Questions

What is the IUPAC name of CID 174714129?
The IUPAC name of CID 174714129 (CID 174714129) is not available.
What is the SMILES notation for CID 174714129?
The canonical SMILES for CID 174714129 is C[N+](=O)[O-].S=NCl.
What is the InChIKey of CID 174714129?
The InChIKey is ZKBWPXMYGXMUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.ClNS/c1-2(3)4;1-2-3/h1H3;.
What are the key properties of CID 174714129?
CID 174714129 has a molecular weight of 142.57 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174714129 is sourced from PubChem (CID 174714129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).