2-phenylcyclopropane-1-carbothioamide

C10H11NS — CID 86086576

IUPAC2-phenylcyclopropane-1-carbothioamide
SMILESNC(=S)C1CC1c1ccccc1
InChIInChI=1S/C10H11NS/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,11,12)
InChIKeyFJYOAOUVVKQHRJ-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.08
Rot. Bonds2

About 2-phenylcyclopropane-1-carbothioamide

2-phenylcyclopropane-1-carbothioamide (PubChem CID 86086576) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-phenylcyclopropane-1-carbothioamide.

Molecular Properties

Compound Name2-phenylcyclopropane-1-carbothioamide
PubChem CID86086576
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-phenylcyclopropane-1-carbothioamide
SMILESNC(=S)C1CC1c1ccccc1
InChIInChI=1S/C10H11NS/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,11,12)
InChIKeyFJYOAOUVVKQHRJ-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenylcyclopropane-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
[(1S,2R)-2-(1,2,2-trichloroethenyl)cyclopropyl]benzene
CID 101094176
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-phenylcyclobutane-1-carboxamide
CID 132565333
[(1R,2S)-2-[(Z)-1,2-dichloroethenyl]cyclopropyl]benzene
CID 134996323
3-amino-2-methyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116564403
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
2,2-dimethoxy-1-(2-phenylcyclopropyl)ethanone
CID 116517110
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897

Frequently Asked Questions

What is the IUPAC name of 2-phenylcyclopropane-1-carbothioamide?
The IUPAC name of 2-phenylcyclopropane-1-carbothioamide (CID 86086576) is 2-phenylcyclopropane-1-carbothioamide.
What is the SMILES notation for 2-phenylcyclopropane-1-carbothioamide?
The canonical SMILES for 2-phenylcyclopropane-1-carbothioamide is NC(=S)C1CC1c1ccccc1.
What is the InChIKey of 2-phenylcyclopropane-1-carbothioamide?
The InChIKey is FJYOAOUVVKQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,11,12).
What are the key properties of 2-phenylcyclopropane-1-carbothioamide?
2-phenylcyclopropane-1-carbothioamide has a molecular weight of 177.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcyclopropane-1-carbothioamide is sourced from PubChem (CID 86086576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).