(5-carbamothioyl-2-methylphenyl)urea

C9H11N3OS — CID 62104099

IUPAC(5-carbamothioyl-2-methylphenyl)urea
SMILESCc1ccc(C(N)=S)cc1NC(N)=O
InChIInChI=1S/C9H11N3OS/c1-5-2-3-6(8(10)14)4-7(5)12-9(11)13/h2-4H,1H3,(H2,10,14)(H3,11,12,13)
InChIKeyNWKMIBJWVNLWTP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.12
Rot. Bonds2

About (5-carbamothioyl-2-methylphenyl)urea

(5-carbamothioyl-2-methylphenyl)urea (PubChem CID 62104099) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (5-carbamothioyl-2-methylphenyl)urea.

Molecular Properties

Compound Name(5-carbamothioyl-2-methylphenyl)urea
PubChem CID62104099
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(5-carbamothioyl-2-methylphenyl)urea
SMILESCc1ccc(C(N)=S)cc1NC(N)=O
InChIInChI=1S/C9H11N3OS/c1-5-2-3-6(8(10)14)4-7(5)12-9(11)13/h2-4H,1H3,(H2,10,14)(H3,11,12,13)
InChIKeyNWKMIBJWVNLWTP-UHFFFAOYSA-N
XLogP1.12
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362
2-methylpropyl N-(5-carbamothioyl-2-methylphenyl)carbamate
CID 55037007
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238953
N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 62103714
N-(5-carbamothioyl-2-methylphenyl)formamide
CID 64991749
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026

Frequently Asked Questions

What is the IUPAC name of (5-carbamothioyl-2-methylphenyl)urea?
The IUPAC name of (5-carbamothioyl-2-methylphenyl)urea (CID 62104099) is (5-carbamothioyl-2-methylphenyl)urea.
What is the SMILES notation for (5-carbamothioyl-2-methylphenyl)urea?
The canonical SMILES for (5-carbamothioyl-2-methylphenyl)urea is Cc1ccc(C(N)=S)cc1NC(N)=O.
What is the InChIKey of (5-carbamothioyl-2-methylphenyl)urea?
The InChIKey is NWKMIBJWVNLWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-2-3-6(8(10)14)4-7(5)12-9(11)13/h2-4H,1H3,(H2,10,14)(H3,11,12,13).
What are the key properties of (5-carbamothioyl-2-methylphenyl)urea?
(5-carbamothioyl-2-methylphenyl)urea has a molecular weight of 209.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamothioyl-2-methylphenyl)urea is sourced from PubChem (CID 62104099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).