amino(benzenecarbonothioyl)carbamic acid

C8H8N2O2S — CID 87614992

IUPACamino(benzenecarbonothioyl)carbamic acid
SMILESNN(C(=O)O)C(=S)c1ccccc1
InChIInChI=1S/C8H8N2O2S/c9-10(8(11)12)7(13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,12)
InChIKeyWCIUFKPNCURIAM-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.22
Rot. Bonds1

About amino(benzenecarbonothioyl)carbamic acid

amino(benzenecarbonothioyl)carbamic acid (PubChem CID 87614992) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is amino(benzenecarbonothioyl)carbamic acid.

Molecular Properties

Compound Nameamino(benzenecarbonothioyl)carbamic acid
PubChem CID87614992
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Nameamino(benzenecarbonothioyl)carbamic acid
SMILESNN(C(=O)O)C(=S)c1ccccc1
InChIInChI=1S/C8H8N2O2S/c9-10(8(11)12)7(13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,12)
InChIKeyWCIUFKPNCURIAM-UHFFFAOYSA-N
XLogP1.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-(benzenecarbonothioyl)-3,3-diethyl-1-methylurea
CID 13184586
3-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-3-oxopropanamide
CID 89295759
CID 88599219
CID 88599219
N-benzoyl-4-methylbenzohydrazide
CID 174274321
N-(benzenecarbonothioyl)-N-propylbenzamide
CID 71326670
N-carbamothioylbenzamide;naphthalene
CID 20980035
methyl N-amino-N-benzoylcarbamate
CID 69339963
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
1,2-diphenylethane-1,2-dione bromide
CID 86754555
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699

Frequently Asked Questions

What is the IUPAC name of amino(benzenecarbonothioyl)carbamic acid?
The IUPAC name of amino(benzenecarbonothioyl)carbamic acid (CID 87614992) is amino(benzenecarbonothioyl)carbamic acid.
What is the SMILES notation for amino(benzenecarbonothioyl)carbamic acid?
The canonical SMILES for amino(benzenecarbonothioyl)carbamic acid is NN(C(=O)O)C(=S)c1ccccc1.
What is the InChIKey of amino(benzenecarbonothioyl)carbamic acid?
The InChIKey is WCIUFKPNCURIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-10(8(11)12)7(13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,12).
What are the key properties of amino(benzenecarbonothioyl)carbamic acid?
amino(benzenecarbonothioyl)carbamic acid has a molecular weight of 196.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(benzenecarbonothioyl)carbamic acid is sourced from PubChem (CID 87614992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).