zinc 2-(chloroamino)-3-sulfidopropanoate

C3H4ClNO2SZn — CID 102081608

IUPACzinc 2-(chloroamino)-3-sulfidopropanoate
SMILESO=C([O-])C(C[S-])NCl.[Zn+2]
InChIInChI=1S/C3H6ClNO2S.Zn/c4-5-2(1-8)3(6)7;/h2,5,8H,1H2,(H,6,7);/q;+2/p-2
InChIKeyOIVVXNGXNIELRJ-UHFFFAOYSA-L
MW218.98 g/mol
LogP-1.61
Rot. Bonds3

About zinc 2-(chloroamino)-3-sulfidopropanoate

zinc 2-(chloroamino)-3-sulfidopropanoate (PubChem CID 102081608) has the molecular formula C3H4ClNO2SZn and a molecular weight of 218.98 g/mol. Its IUPAC name is zinc 2-(chloroamino)-3-sulfidopropanoate.

Molecular Properties

Compound Namezinc 2-(chloroamino)-3-sulfidopropanoate
PubChem CID102081608
Molecular FormulaC3H4ClNO2SZn
Molecular Weight218.98 g/mol
Exact Mass216.89
IUPAC Namezinc 2-(chloroamino)-3-sulfidopropanoate
SMILESO=C([O-])C(C[S-])NCl.[Zn+2]
InChIInChI=1S/C3H6ClNO2S.Zn/c4-5-2(1-8)3(6)7;/h2,5,8H,1H2,(H,6,7);/q;+2/p-2
InChIKeyOIVVXNGXNIELRJ-UHFFFAOYSA-L
XLogP-1.61
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.98
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze zinc 2-(chloroamino)-3-sulfidopropanoate with MolForge

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

Launch Full Analysis

Related Compounds

calcium 2-acetamido-3-sulfidopropanoate
CID 46195372
zinc;2-amino-3-sulfidopropanoate;hydrochloride
CID 85144932
bis(cobalt(2+));2-(1,2-dicarboxylatoethylamino)butanedioate
CID 175697407
dicalcium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 176895513
2-(1,2-dicarboxylatoethylamino)butanedioate;bis(manganese(2+))
CID 87472232
calcium;magnesium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 87157443
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoate
CID 7015686
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
(2S)-2-(carbamoylamino)butanedioate
CID 5460257
(2S)-4-amino-2-(carbamoylamino)-4-oxobutanoate
CID 7319306
dizinc sulfidoformate
CID 21464809

Frequently Asked Questions

What is the IUPAC name of zinc 2-(chloroamino)-3-sulfidopropanoate?
The IUPAC name of zinc 2-(chloroamino)-3-sulfidopropanoate (CID 102081608) is zinc 2-(chloroamino)-3-sulfidopropanoate.
What is the SMILES notation for zinc 2-(chloroamino)-3-sulfidopropanoate?
The canonical SMILES for zinc 2-(chloroamino)-3-sulfidopropanoate is O=C([O-])C(C[S-])NCl.[Zn+2].
What is the InChIKey of zinc 2-(chloroamino)-3-sulfidopropanoate?
The InChIKey is OIVVXNGXNIELRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6ClNO2S.Zn/c4-5-2(1-8)3(6)7;/h2,5,8H,1H2,(H,6,7);/q;+2/p-2.
What are the key properties of zinc 2-(chloroamino)-3-sulfidopropanoate?
zinc 2-(chloroamino)-3-sulfidopropanoate has a molecular weight of 218.98 g/mol, XLogP of -1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-(chloroamino)-3-sulfidopropanoate is sourced from PubChem (CID 102081608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).