N-carbamothioyl-3,4-dimethylbenzamide

C10H12N2OS — CID 59730537

IUPACN-carbamothioyl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(N)=S)cc1C
InChIInChI=1S/C10H12N2OS/c1-6-3-4-8(5-7(6)2)9(13)12-10(11)14/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKeyUCVUQIYUZHZZEQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.28
Rot. Bonds1

About N-carbamothioyl-3,4-dimethylbenzamide

N-carbamothioyl-3,4-dimethylbenzamide (PubChem CID 59730537) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-carbamothioyl-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-carbamothioyl-3,4-dimethylbenzamide
PubChem CID59730537
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-carbamothioyl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(N)=S)cc1C
InChIInChI=1S/C10H12N2OS/c1-6-3-4-8(5-7(6)2)9(13)12-10(11)14/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKeyUCVUQIYUZHZZEQ-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.28
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-3,4-dimethylbenzamide?
The IUPAC name of N-carbamothioyl-3,4-dimethylbenzamide (CID 59730537) is N-carbamothioyl-3,4-dimethylbenzamide.
What is the SMILES notation for N-carbamothioyl-3,4-dimethylbenzamide?
The canonical SMILES for N-carbamothioyl-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC(N)=S)cc1C.
What is the InChIKey of N-carbamothioyl-3,4-dimethylbenzamide?
The InChIKey is UCVUQIYUZHZZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6-3-4-8(5-7(6)2)9(13)12-10(11)14/h3-5H,1-2H3,(H3,11,12,13,14).
What are the key properties of N-carbamothioyl-3,4-dimethylbenzamide?
N-carbamothioyl-3,4-dimethylbenzamide has a molecular weight of 208.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-3,4-dimethylbenzamide is sourced from PubChem (CID 59730537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).