1-thiophen-3-ylcyclopropane-1-carbothioamide

C8H9NS2 — CID 112707005

IUPAC1-thiophen-3-ylcyclopropane-1-carbothioamide
SMILESNC(=S)C1(c2ccsc2)CC1
InChIInChI=1S/C8H9NS2/c9-7(10)8(2-3-8)6-1-4-11-5-6/h1,4-5H,2-3H2,(H2,9,10)
InChIKeyFEBDLMOJONVETK-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.07
Rot. Bonds2

About 1-thiophen-3-ylcyclopropane-1-carbothioamide

1-thiophen-3-ylcyclopropane-1-carbothioamide (PubChem CID 112707005) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-thiophen-3-ylcyclopropane-1-carbothioamide.

Molecular Properties

Compound Name1-thiophen-3-ylcyclopropane-1-carbothioamide
PubChem CID112707005
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name1-thiophen-3-ylcyclopropane-1-carbothioamide
SMILESNC(=S)C1(c2ccsc2)CC1
InChIInChI=1S/C8H9NS2/c9-7(10)8(2-3-8)6-1-4-11-5-6/h1,4-5H,2-3H2,(H2,9,10)
InChIKeyFEBDLMOJONVETK-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'}

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Related Compounds

4,4-dihydroxy-1-thiophen-3-ylcyclohexane-1-carboxylic acid
CID 71120238
1-thiophen-3-ylcyclopentane-1-carbonyl chloride
CID 45081256
1-thiophen-3-ylcyclooctan-1-ol
CID 66987938
4-fluoro-4-thiophen-3-ylcyclohexan-1-amine
CID 112562385
3-(1-thiophen-3-ylcyclohexyl)thiophene
CID 142418465
2-thiophen-3-yl-1,3-dihydroinden-2-amine
CID 65099342
6-thiophen-3-yl-1,4-dioxepan-6-ol
CID 126981802
(1-methylpiperidin-1-ium-1-yl)methyl 1-thiophen-3-ylcyclopentane-1-carboxylate;hydrochloride
CID 23295047
4,4-dimethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099568
3-thiophen-3-ylpiperidin-3-ol
CID 65099666
4-methyl-1-(2-thiophen-3-ylethyl)piperidine-4-carbothioamide
CID 107161580
2-tert-butyl-1-thiophen-3-ylcyclohexan-1-amine
CID 65099287

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylcyclopropane-1-carbothioamide?
The IUPAC name of 1-thiophen-3-ylcyclopropane-1-carbothioamide (CID 112707005) is 1-thiophen-3-ylcyclopropane-1-carbothioamide.
What is the SMILES notation for 1-thiophen-3-ylcyclopropane-1-carbothioamide?
The canonical SMILES for 1-thiophen-3-ylcyclopropane-1-carbothioamide is NC(=S)C1(c2ccsc2)CC1.
What is the InChIKey of 1-thiophen-3-ylcyclopropane-1-carbothioamide?
The InChIKey is FEBDLMOJONVETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c9-7(10)8(2-3-8)6-1-4-11-5-6/h1,4-5H,2-3H2,(H2,9,10).
What are the key properties of 1-thiophen-3-ylcyclopropane-1-carbothioamide?
1-thiophen-3-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-3-ylcyclopropane-1-carbothioamide is sourced from PubChem (CID 112707005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).