1-(2-sulfanylcyclopropyl)aziridine-2-thiol

C5H9NS2 — CID 174344437

IUPAC1-(2-sulfanylcyclopropyl)aziridine-2-thiol
SMILESSC1CC1N1CC1S
InChIInChI=1S/C5H9NS2/c7-4-1-3(4)6-2-5(6)8/h3-5,7-8H,1-2H2
InChIKeyGMQAOUAWKPEXCD-UHFFFAOYSA-N
MW147.27 g/mol
LogP0.63
Rot. Bonds1

About 1-(2-sulfanylcyclopropyl)aziridine-2-thiol

1-(2-sulfanylcyclopropyl)aziridine-2-thiol (PubChem CID 174344437) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is 1-(2-sulfanylcyclopropyl)aziridine-2-thiol.

Molecular Properties

Compound Name1-(2-sulfanylcyclopropyl)aziridine-2-thiol
PubChem CID174344437
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name1-(2-sulfanylcyclopropyl)aziridine-2-thiol
SMILESSC1CC1N1CC1S
InChIInChI=1S/C5H9NS2/c7-4-1-3(4)6-2-5(6)8/h3-5,7-8H,1-2H2
InChIKeyGMQAOUAWKPEXCD-UHFFFAOYSA-N
XLogP0.63
TPSA3.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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(1S,2S,4R,5R)-bicyclo[2.2.1]heptane-2,5-dithiol
CID 98091771
cis-(1R,2S)-cycloheptane-1,2-dithiol
CID 102083621
(3S,6S)-6-amino-5-oxo-8-sulfanyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
CID 163466698
1,3-dimethylimidazolidine-4-thiol
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1-tert-butylazetidine-3-thiol;methane
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3-sulfanyl-3-azabicyclo[3.1.0]hexane
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1-azatricyclo[5.1.0.02,4]octane
CID 130224597
bicyclo[4.2.2]decane-7-thiol
CID 138612681
trans-(1R,2R)-2-(2,4-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 102732334

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylcyclopropyl)aziridine-2-thiol?
The IUPAC name of 1-(2-sulfanylcyclopropyl)aziridine-2-thiol (CID 174344437) is 1-(2-sulfanylcyclopropyl)aziridine-2-thiol.
What is the SMILES notation for 1-(2-sulfanylcyclopropyl)aziridine-2-thiol?
The canonical SMILES for 1-(2-sulfanylcyclopropyl)aziridine-2-thiol is SC1CC1N1CC1S.
What is the InChIKey of 1-(2-sulfanylcyclopropyl)aziridine-2-thiol?
The InChIKey is GMQAOUAWKPEXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2/c7-4-1-3(4)6-2-5(6)8/h3-5,7-8H,1-2H2.
What are the key properties of 1-(2-sulfanylcyclopropyl)aziridine-2-thiol?
1-(2-sulfanylcyclopropyl)aziridine-2-thiol has a molecular weight of 147.27 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylcyclopropyl)aziridine-2-thiol is sourced from PubChem (CID 174344437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).