1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea

C8H8Cl2N2OS — CID 88795205

IUPAC1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea
SMILESCNC(=O)N(S)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2N2OS/c1-11-8(13)12(14)6-4-2-3-5(9)7(6)10/h2-4,14H,1H3,(H,11,13)
InChIKeySRVJCGKTUHPSGP-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.98
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea

1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea (PubChem CID 88795205) has the molecular formula C8H8Cl2N2OS and a molecular weight of 251.14 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea
PubChem CID88795205
Molecular FormulaC8H8Cl2N2OS
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea
SMILESCNC(=O)N(S)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2N2OS/c1-11-8(13)12(14)6-4-2-3-5(9)7(6)10/h2-4,14H,1H3,(H,11,13)
InChIKeySRVJCGKTUHPSGP-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-methyl-1-sulfanylurea
CID 88795277
1-(2,3-dichlorophenyl)-3-[(2-fluoro-4-pyridinyl)methyl]-1-sulfanylurea
CID 87505899
1-(3-chloro-2-hydroxyphenyl)-1-sulfanyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 87656129
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
1-(4-anilinophenyl)-3-methyl-1-sulfanylurea
CID 88795730
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
1-(3-chloro-2-hydroxyphenyl)-3-(2-phenylethyl)-1-sulfanylurea
CID 87656723
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
3-(2,3-dichloro-N-formylanilino)propanoic acid
CID 20848381
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
3-(N-butanoyl-2,3-dichloroanilino)propanoic acid
CID 82320766
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea (CID 88795205) is 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea is CNC(=O)N(S)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea?
The InChIKey is SRVJCGKTUHPSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2OS/c1-11-8(13)12(14)6-4-2-3-5(9)7(6)10/h2-4,14H,1H3,(H,11,13).
What are the key properties of 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea?
1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea has a molecular weight of 251.14 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-methyl-1-sulfanylurea is sourced from PubChem (CID 88795205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).