cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane

C5H7NS — CID 166872116

IUPACcis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane
SMILESC=C[C@H]1C[C@@H]1N=S
InChIInChI=1S/C5H7NS/c1-2-4-3-5(4)6-7/h2,4-5H,1,3H2/t4-,5-/m0/s1
InChIKeyZVPOXCFQSFEESX-WHFBIAKZSA-N
MW113.18 g/mol
LogP1.29
Rot. Bonds2

About cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane

cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane (PubChem CID 166872116) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane.

Molecular Properties

Compound Namecis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane
PubChem CID166872116
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Namecis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane
SMILESC=C[C@H]1C[C@@H]1N=S
InChIInChI=1S/C5H7NS/c1-2-4-3-5(4)6-7/h2,4-5H,1,3H2/t4-,5-/m0/s1
InChIKeyZVPOXCFQSFEESX-WHFBIAKZSA-N
XLogP1.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane 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

2-vinylcyclopropyl silane
CID 154724301
2,4-bis(ethenyl)bicyclo[3.1.0]hexane
CID 157434965
2-ethenylcyclopropan-1-ol
CID 54500145
1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944
1-tert-butyl-2,4-bis(ethenyl)cyclopentane
CID 58961448
[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846
1,3-bis(ethenyl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162270602
2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
CID 102275585
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
(1S,2R,4S,5R,6S)-6-ethenyltricyclo[3.2.1.02,4]octane
CID 143370752
2-ethenyl-5-methylidenebicyclo[2.1.0]pentane
CID 123422240
cis-(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
CID 12721336

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane?
The IUPAC name of cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane (CID 166872116) is cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane.
What is the SMILES notation for cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane?
The canonical SMILES for cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane is C=C[C@H]1C[C@@H]1N=S.
What is the InChIKey of cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane?
The InChIKey is ZVPOXCFQSFEESX-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H7NS/c1-2-4-3-5(4)6-7/h2,4-5H,1,3H2/t4-,5-/m0/s1.
What are the key properties of cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane?
cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane has a molecular weight of 113.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-ethenyl-2-thionitrosocyclopropane is sourced from PubChem (CID 166872116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).