1-chloro-3-(sulfinatoamino)prop-1-ene

C3H5ClNO2S- — CID 91571333

IUPAC1-chloro-3-(sulfinatoamino)prop-1-ene
SMILESO=S([O-])NCC=CCl
InChIInChI=1S/C3H6ClNO2S/c4-2-1-3-5-8(6)7/h1-2,5H,3H2,(H,6,7)/p-1
InChIKeyIEHWGBRONDJABD-UHFFFAOYSA-M
MW154.60 g/mol
LogP0.12
Rot. Bonds3

About 1-chloro-3-(sulfinatoamino)prop-1-ene

1-chloro-3-(sulfinatoamino)prop-1-ene (PubChem CID 91571333) has the molecular formula C3H5ClNO2S- and a molecular weight of 154.60 g/mol. Its IUPAC name is 1-chloro-3-(sulfinatoamino)prop-1-ene.

Molecular Properties

Compound Name1-chloro-3-(sulfinatoamino)prop-1-ene
PubChem CID91571333
Molecular FormulaC3H5ClNO2S-
Molecular Weight154.60 g/mol
Exact Mass153.97
IUPAC Name1-chloro-3-(sulfinatoamino)prop-1-ene
SMILESO=S([O-])NCC=CCl
InChIInChI=1S/C3H6ClNO2S/c4-2-1-3-5-8(6)7/h1-2,5H,3H2,(H,6,7)/p-1
InChIKeyIEHWGBRONDJABD-UHFFFAOYSA-M
XLogP0.12
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-chloro-3-(sulfinatoamino)prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(sulfinatoamino)prop-1-ene?
The IUPAC name of 1-chloro-3-(sulfinatoamino)prop-1-ene (CID 91571333) is 1-chloro-3-(sulfinatoamino)prop-1-ene.
What is the SMILES notation for 1-chloro-3-(sulfinatoamino)prop-1-ene?
The canonical SMILES for 1-chloro-3-(sulfinatoamino)prop-1-ene is O=S([O-])NCC=CCl.
What is the InChIKey of 1-chloro-3-(sulfinatoamino)prop-1-ene?
The InChIKey is IEHWGBRONDJABD-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6ClNO2S/c4-2-1-3-5-8(6)7/h1-2,5H,3H2,(H,6,7)/p-1.
What are the key properties of 1-chloro-3-(sulfinatoamino)prop-1-ene?
1-chloro-3-(sulfinatoamino)prop-1-ene has a molecular weight of 154.60 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(sulfinatoamino)prop-1-ene is sourced from PubChem (CID 91571333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).