3-(benzenecarbonothioyl)-1,1-dimethylurea

C10H12N2OS — CID 13015436

IUPAC3-(benzenecarbonothioyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=S)c1ccccc1
InChIInChI=1S/C10H12N2OS/c1-12(2)10(13)11-9(14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,13,14)
InChIKeyQZBZQCRPLIJISK-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.63
Rot. Bonds1

About 3-(benzenecarbonothioyl)-1,1-dimethylurea

3-(benzenecarbonothioyl)-1,1-dimethylurea (PubChem CID 13015436) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-(benzenecarbonothioyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(benzenecarbonothioyl)-1,1-dimethylurea
PubChem CID13015436
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-(benzenecarbonothioyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NC(=S)c1ccccc1
InChIInChI=1S/C10H12N2OS/c1-12(2)10(13)11-9(14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,13,14)
InChIKeyQZBZQCRPLIJISK-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-1,1-dimethylurea
CID 135603545
3-(benzenecarbonothioyl)-1-phenyl-1-prop-2-enylurea
CID 2958860
N-prop-1-en-2-ylbenzenecarbothioamide
CID 143644017
3-N',4-N'-bis(benzenecarbonothioyl)-3-N',4-N'-dimethyl-1H-pyrrole-3,4-dicarbohydrazide
CID 24938048
2-(benzenecarbonothioyl)-N,N,2-trimethyl-3-phenyl-3-sulfanylidenepropanamide
CID 141320839
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
CID 58532633
1-(benzenecarbonothioyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 851774
dimethylcarbamoylcarbamic acid
CID 22418529
1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea
CID 972849
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
O-phenacyl N,N-dimethylcarbamothioate
CID 88793573
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694

Frequently Asked Questions

What is the IUPAC name of 3-(benzenecarbonothioyl)-1,1-dimethylurea?
The IUPAC name of 3-(benzenecarbonothioyl)-1,1-dimethylurea (CID 13015436) is 3-(benzenecarbonothioyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(benzenecarbonothioyl)-1,1-dimethylurea?
The canonical SMILES for 3-(benzenecarbonothioyl)-1,1-dimethylurea is CN(C)C(=O)NC(=S)c1ccccc1.
What is the InChIKey of 3-(benzenecarbonothioyl)-1,1-dimethylurea?
The InChIKey is QZBZQCRPLIJISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-12(2)10(13)11-9(14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,13,14).
What are the key properties of 3-(benzenecarbonothioyl)-1,1-dimethylurea?
3-(benzenecarbonothioyl)-1,1-dimethylurea has a molecular weight of 208.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenecarbonothioyl)-1,1-dimethylurea is sourced from PubChem (CID 13015436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).