N-carbamothioyl-4-methylbenzamide

C9H10N2OS — CID 12667077

IUPACN-carbamothioyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(N)=S)cc1
InChIInChI=1S/C9H10N2OS/c1-6-2-4-7(5-3-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyRMGQXVZEZAISOU-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.97
Rot. Bonds1

About N-carbamothioyl-4-methylbenzamide

N-carbamothioyl-4-methylbenzamide (PubChem CID 12667077) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-carbamothioyl-4-methylbenzamide.

Molecular Properties

Compound NameN-carbamothioyl-4-methylbenzamide
PubChem CID12667077
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-carbamothioyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(N)=S)cc1
InChIInChI=1S/C9H10N2OS/c1-6-2-4-7(5-3-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyRMGQXVZEZAISOU-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-4-methylbenzamide?
The IUPAC name of N-carbamothioyl-4-methylbenzamide (CID 12667077) is N-carbamothioyl-4-methylbenzamide.
What is the SMILES notation for N-carbamothioyl-4-methylbenzamide?
The canonical SMILES for N-carbamothioyl-4-methylbenzamide is Cc1ccc(C(=O)NC(N)=S)cc1.
What is the InChIKey of N-carbamothioyl-4-methylbenzamide?
The InChIKey is RMGQXVZEZAISOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-2-4-7(5-3-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13).
What are the key properties of N-carbamothioyl-4-methylbenzamide?
N-carbamothioyl-4-methylbenzamide has a molecular weight of 194.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-4-methylbenzamide is sourced from PubChem (CID 12667077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).