amino(2-sulfanylideneethyl)carbamic acid

C3H6N2O2S — CID 87613112

IUPACamino(2-sulfanylideneethyl)carbamic acid
SMILESNN(CC=S)C(=O)O
InChIInChI=1S/C3H6N2O2S/c4-5(1-2-8)3(6)7/h2H,1,4H2,(H,6,7)
InChIKeyGBVYFBPRSNYURC-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.16
Rot. Bonds2

About amino(2-sulfanylideneethyl)carbamic acid

amino(2-sulfanylideneethyl)carbamic acid (PubChem CID 87613112) has the molecular formula C3H6N2O2S and a molecular weight of 134.16 g/mol. Its IUPAC name is amino(2-sulfanylideneethyl)carbamic acid.

Molecular Properties

Compound Nameamino(2-sulfanylideneethyl)carbamic acid
PubChem CID87613112
Molecular FormulaC3H6N2O2S
Molecular Weight134.16 g/mol
Exact Mass134.01
IUPAC Nameamino(2-sulfanylideneethyl)carbamic acid
SMILESNN(CC=S)C(=O)O
InChIInChI=1S/C3H6N2O2S/c4-5(1-2-8)3(6)7/h2H,1,4H2,(H,6,7)
InChIKeyGBVYFBPRSNYURC-UHFFFAOYSA-N
XLogP-0.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze amino(2-sulfanylideneethyl)carbamic acid 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

amino(2-aminoethyl)carbamic acid
CID 142575644
3-[amino(carboxy)amino]propanoic acid
CID 123794055
amino(benzyl)carbamic acid
CID 18704089
amino-[3-(dimethylamino)-2-hydroxypentyl]carbamic acid
CID 87839188
amino-[(4-methylphenyl)methyl]carbamic acid
CID 68916072
propane;tris(3-sulfanylidenepropanoic acid)
CID 173070034
2-sulfanylideneethyl carbamate
CID 19797136
hydrazinyl(2-oxoethyl)carbamic acid
CID 87761818
1,1-diamino-3,3-dimethylurea
CID 154021119
2-methanethioyl-3-sulfanylidenepropanoic acid
CID 19101453
1-amino-3-benzyl-1-prop-2-enylurea
CID 57428112
azane;carbonic acid;chromium;copper
CID 173415383

Frequently Asked Questions

What is the IUPAC name of amino(2-sulfanylideneethyl)carbamic acid?
The IUPAC name of amino(2-sulfanylideneethyl)carbamic acid (CID 87613112) is amino(2-sulfanylideneethyl)carbamic acid.
What is the SMILES notation for amino(2-sulfanylideneethyl)carbamic acid?
The canonical SMILES for amino(2-sulfanylideneethyl)carbamic acid is NN(CC=S)C(=O)O.
What is the InChIKey of amino(2-sulfanylideneethyl)carbamic acid?
The InChIKey is GBVYFBPRSNYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2S/c4-5(1-2-8)3(6)7/h2H,1,4H2,(H,6,7).
What are the key properties of amino(2-sulfanylideneethyl)carbamic acid?
amino(2-sulfanylideneethyl)carbamic acid has a molecular weight of 134.16 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(2-sulfanylideneethyl)carbamic acid is sourced from PubChem (CID 87613112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).