(2-carbamothioyl-3-methylphenyl)urea

C9H11N3OS — CID 107798936

IUPAC(2-carbamothioyl-3-methylphenyl)urea
SMILESCc1cccc(NC(N)=O)c1C(N)=S
InChIInChI=1S/C9H11N3OS/c1-5-3-2-4-6(12-9(11)13)7(5)8(10)14/h2-4H,1H3,(H2,10,14)(H3,11,12,13)
InChIKeyDAEKAMBSMCKZPP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.12
Rot. Bonds2

About (2-carbamothioyl-3-methylphenyl)urea

(2-carbamothioyl-3-methylphenyl)urea (PubChem CID 107798936) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (2-carbamothioyl-3-methylphenyl)urea.

Molecular Properties

Compound Name(2-carbamothioyl-3-methylphenyl)urea
PubChem CID107798936
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(2-carbamothioyl-3-methylphenyl)urea
SMILESCc1cccc(NC(N)=O)c1C(N)=S
InChIInChI=1S/C9H11N3OS/c1-5-3-2-4-6(12-9(11)13)7(5)8(10)14/h2-4H,1H3,(H2,10,14)(H3,11,12,13)
InChIKeyDAEKAMBSMCKZPP-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-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
3-(2-carbamothioyl-3-methylphenyl)-1,1-diethylurea
CID 107798930
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 107805598
1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea
CID 107798932
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
(2-methylphenyl)urea;phosphane
CID 175888509
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746

Frequently Asked Questions

What is the IUPAC name of (2-carbamothioyl-3-methylphenyl)urea?
The IUPAC name of (2-carbamothioyl-3-methylphenyl)urea (CID 107798936) is (2-carbamothioyl-3-methylphenyl)urea.
What is the SMILES notation for (2-carbamothioyl-3-methylphenyl)urea?
The canonical SMILES for (2-carbamothioyl-3-methylphenyl)urea is Cc1cccc(NC(N)=O)c1C(N)=S.
What is the InChIKey of (2-carbamothioyl-3-methylphenyl)urea?
The InChIKey is DAEKAMBSMCKZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-3-2-4-6(12-9(11)13)7(5)8(10)14/h2-4H,1H3,(H2,10,14)(H3,11,12,13).
What are the key properties of (2-carbamothioyl-3-methylphenyl)urea?
(2-carbamothioyl-3-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 (2-carbamothioyl-3-methylphenyl)urea is sourced from PubChem (CID 107798936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).