1,3-dimethyl-1-phenyl-3-sulfanylurea

C9H12N2OS — CID 88793984

IUPAC1,3-dimethyl-1-phenyl-3-sulfanylurea
SMILESCN(S)C(=O)N(C)c1ccccc1
InChIInChI=1S/C9H12N2OS/c1-10(9(12)11(2)13)8-6-4-3-5-7-8/h3-7,13H,1-2H3
InChIKeyXAMNLEJFZORMHW-UHFFFAOYSA-N
MW196.28 g/mol
LogP2.02
Rot. Bonds1

About 1,3-dimethyl-1-phenyl-3-sulfanylurea

1,3-dimethyl-1-phenyl-3-sulfanylurea (PubChem CID 88793984) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1,3-dimethyl-1-phenyl-3-sulfanylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-phenyl-3-sulfanylurea
PubChem CID88793984
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1,3-dimethyl-1-phenyl-3-sulfanylurea
SMILESCN(S)C(=O)N(C)c1ccccc1
InChIInChI=1S/C9H12N2OS/c1-10(9(12)11(2)13)8-6-4-3-5-7-8/h3-7,13H,1-2H3
InChIKeyXAMNLEJFZORMHW-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 102316457
formic acid;methyl(phenyl)carbamic acid
CID 161284118
N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
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1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea
CID 70521806
1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
CID 121485750
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621
(E)-N,2-dimethyl-N-phenylbut-2-enamide
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3-hydroxy-N-methyl-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-phenyl-3-sulfanylurea?
The IUPAC name of 1,3-dimethyl-1-phenyl-3-sulfanylurea (CID 88793984) is 1,3-dimethyl-1-phenyl-3-sulfanylurea.
What is the SMILES notation for 1,3-dimethyl-1-phenyl-3-sulfanylurea?
The canonical SMILES for 1,3-dimethyl-1-phenyl-3-sulfanylurea is CN(S)C(=O)N(C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-1-phenyl-3-sulfanylurea?
The InChIKey is XAMNLEJFZORMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-10(9(12)11(2)13)8-6-4-3-5-7-8/h3-7,13H,1-2H3.
What are the key properties of 1,3-dimethyl-1-phenyl-3-sulfanylurea?
1,3-dimethyl-1-phenyl-3-sulfanylurea has a molecular weight of 196.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-phenyl-3-sulfanylurea is sourced from PubChem (CID 88793984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).