1-thiophen-2-ylcyclopropane-1-carbothioamide

C8H9NS2 — CID 112707006

IUPAC1-thiophen-2-ylcyclopropane-1-carbothioamide
SMILESNC(=S)C1(c2cccs2)CC1
InChIInChI=1S/C8H9NS2/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H2,9,10)
InChIKeyQVWSSHVHOQWSKX-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.07
Rot. Bonds2

About 1-thiophen-2-ylcyclopropane-1-carbothioamide

1-thiophen-2-ylcyclopropane-1-carbothioamide (PubChem CID 112707006) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclopropane-1-carbothioamide.

Molecular Properties

Compound Name1-thiophen-2-ylcyclopropane-1-carbothioamide
PubChem CID112707006
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name1-thiophen-2-ylcyclopropane-1-carbothioamide
SMILESNC(=S)C1(c2cccs2)CC1
InChIInChI=1S/C8H9NS2/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H2,9,10)
InChIKeyQVWSSHVHOQWSKX-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-thiophen-2-ylcyclopropane-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

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclopropane-1-carbothioamide?
The IUPAC name of 1-thiophen-2-ylcyclopropane-1-carbothioamide (CID 112707006) is 1-thiophen-2-ylcyclopropane-1-carbothioamide.
What is the SMILES notation for 1-thiophen-2-ylcyclopropane-1-carbothioamide?
The canonical SMILES for 1-thiophen-2-ylcyclopropane-1-carbothioamide is NC(=S)C1(c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylcyclopropane-1-carbothioamide?
The InChIKey is QVWSSHVHOQWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H2,9,10).
What are the key properties of 1-thiophen-2-ylcyclopropane-1-carbothioamide?
1-thiophen-2-ylcyclopropane-1-carbothioamide has a molecular weight of 183.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclopropane-1-carbothioamide is sourced from PubChem (CID 112707006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).