N-carbamothioyl-4-ethenylbenzamide

C10H10N2OS — CID 164850689

IUPACN-carbamothioyl-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)NC(N)=S)cc1
InChIInChI=1S/C10H10N2OS/c1-2-7-3-5-8(6-4-7)9(13)12-10(11)14/h2-6H,1H2,(H3,11,12,13,14)
InChIKeyRHZMPXCSXFHPMS-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.30
Rot. Bonds2

About N-carbamothioyl-4-ethenylbenzamide

N-carbamothioyl-4-ethenylbenzamide (PubChem CID 164850689) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-carbamothioyl-4-ethenylbenzamide.

Molecular Properties

Compound NameN-carbamothioyl-4-ethenylbenzamide
PubChem CID164850689
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-carbamothioyl-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)NC(N)=S)cc1
InChIInChI=1S/C10H10N2OS/c1-2-7-3-5-8(6-4-7)9(13)12-10(11)14/h2-6H,1H2,(H3,11,12,13,14)
InChIKeyRHZMPXCSXFHPMS-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.30
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-ethenylbenzamide?
The IUPAC name of N-carbamothioyl-4-ethenylbenzamide (CID 164850689) is N-carbamothioyl-4-ethenylbenzamide.
What is the SMILES notation for N-carbamothioyl-4-ethenylbenzamide?
The canonical SMILES for N-carbamothioyl-4-ethenylbenzamide is C=Cc1ccc(C(=O)NC(N)=S)cc1.
What is the InChIKey of N-carbamothioyl-4-ethenylbenzamide?
The InChIKey is RHZMPXCSXFHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-7-3-5-8(6-4-7)9(13)12-10(11)14/h2-6H,1H2,(H3,11,12,13,14).
What are the key properties of N-carbamothioyl-4-ethenylbenzamide?
N-carbamothioyl-4-ethenylbenzamide has a molecular weight of 206.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-4-ethenylbenzamide is sourced from PubChem (CID 164850689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).