N-(5-carbamothioyl-2-methylphenyl)formamide

C9H10N2OS — CID 64991749

IUPACN-(5-carbamothioyl-2-methylphenyl)formamide
SMILESCc1ccc(C(N)=S)cc1NC=O
InChIInChI=1S/C9H10N2OS/c1-6-2-3-7(9(10)13)4-8(6)11-5-12/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyGBHAAMHLPONWRF-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.20
Rot. Bonds3

About N-(5-carbamothioyl-2-methylphenyl)formamide

N-(5-carbamothioyl-2-methylphenyl)formamide (PubChem CID 64991749) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)formamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)formamide
PubChem CID64991749
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)formamide
SMILESCc1ccc(C(N)=S)cc1NC=O
InChIInChI=1S/C9H10N2OS/c1-6-2-3-7(9(10)13)4-8(6)11-5-12/h2-5H,1H3,(H2,10,13)(H,11,12)
InChIKeyGBHAAMHLPONWRF-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)formamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)formamide (CID 64991749) is N-(5-carbamothioyl-2-methylphenyl)formamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)formamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)formamide is Cc1ccc(C(N)=S)cc1NC=O.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)formamide?
The InChIKey is GBHAAMHLPONWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-2-3-7(9(10)13)4-8(6)11-5-12/h2-5H,1H3,(H2,10,13)(H,11,12).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)formamide?
N-(5-carbamothioyl-2-methylphenyl)formamide has a molecular weight of 194.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methylphenyl)formamide is sourced from PubChem (CID 64991749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).