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

C3H5ClNO2S- — CID 174714309

IUPAC3-chloro-3-(sulfinatoamino)prop-1-ene
SMILESC=CC(Cl)NS(=O)[O-]
InChIInChI=1S/C3H6ClNO2S/c1-2-3(4)5-8(6)7/h2-3,5H,1H2,(H,6,7)/p-1
InChIKeyHLVOAMDVXXZOCW-UHFFFAOYSA-M
MW154.60 g/mol
LogP0.12
Rot. Bonds3

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

3-chloro-3-(sulfinatoamino)prop-1-ene (PubChem CID 174714309) has the molecular formula C3H5ClNO2S- and a molecular weight of 154.60 g/mol. Its IUPAC name is 3-chloro-3-(sulfinatoamino)prop-1-ene.

Molecular Properties

Compound Name3-chloro-3-(sulfinatoamino)prop-1-ene
PubChem CID174714309
Molecular FormulaC3H5ClNO2S-
Molecular Weight154.60 g/mol
Exact Mass153.97
IUPAC Name3-chloro-3-(sulfinatoamino)prop-1-ene
SMILESC=CC(Cl)NS(=O)[O-]
InChIInChI=1S/C3H6ClNO2S/c1-2-3(4)5-8(6)7/h2-3,5H,1H2,(H,6,7)/p-1
InChIKeyHLVOAMDVXXZOCW-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(sulfinatoamino)prop-1-ene?
The IUPAC name of 3-chloro-3-(sulfinatoamino)prop-1-ene (CID 174714309) is 3-chloro-3-(sulfinatoamino)prop-1-ene.
What is the SMILES notation for 3-chloro-3-(sulfinatoamino)prop-1-ene?
The canonical SMILES for 3-chloro-3-(sulfinatoamino)prop-1-ene is C=CC(Cl)NS(=O)[O-].
What is the InChIKey of 3-chloro-3-(sulfinatoamino)prop-1-ene?
The InChIKey is HLVOAMDVXXZOCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6ClNO2S/c1-2-3(4)5-8(6)7/h2-3,5H,1H2,(H,6,7)/p-1.
What are the key properties of 3-chloro-3-(sulfinatoamino)prop-1-ene?
3-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 3-chloro-3-(sulfinatoamino)prop-1-ene is sourced from PubChem (CID 174714309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).