2-[3-(thiiran-2-yl)phenyl]thiirane

C10H10S2 — CID 18410104

IUPAC2-[3-(thiiran-2-yl)phenyl]thiirane
SMILESc1cc(C2CS2)cc(C2CS2)c1
InChIInChI=1S/C10H10S2/c1-2-7(9-5-11-9)4-8(3-1)10-6-12-10/h1-4,9-10H,5-6H2
InChIKeyRGXANJLKBYGAPN-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.26
Rot. Bonds2

About 2-[3-(thiiran-2-yl)phenyl]thiirane

2-[3-(thiiran-2-yl)phenyl]thiirane (PubChem CID 18410104) has the molecular formula C10H10S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[3-(thiiran-2-yl)phenyl]thiirane.

Molecular Properties

Compound Name2-[3-(thiiran-2-yl)phenyl]thiirane
PubChem CID18410104
Molecular FormulaC10H10S2
Molecular Weight194.32 g/mol
Exact Mass194.02
IUPAC Name2-[3-(thiiran-2-yl)phenyl]thiirane
SMILESc1cc(C2CS2)cc(C2CS2)c1
InChIInChI=1S/C10H10S2/c1-2-7(9-5-11-9)4-8(3-1)10-6-12-10/h1-4,9-10H,5-6H2
InChIKeyRGXANJLKBYGAPN-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(thiiran-2-yl)phenol
CID 143004081
2-(4-methylphenyl)thiirane
CID 12013872
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CID 22602311
[2-[3-[4-(sulfanylmethyl)-1,3-dithiolan-2-yl]phenyl]-1,3-dithiolan-4-yl]methanethiol
CID 22601988
3-(thian-2-yl)aniline
CID 105447669
bicyclo[3.1.1]hepta-1(7),2,4-triene-6-thiol
CID 88821487
3-(3-isocyanatophenyl)thietane
CID 83915515
(3S,4aR,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isothiochromene
CID 11905188
(7S)-7-(3-chlorophenyl)-1,4-thiazepane
CID 97102826
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
2,6-diphenyl-1,4-dithiane
CID 15501260
CID 68729067
CID 68729067

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiiran-2-yl)phenyl]thiirane?
The IUPAC name of 2-[3-(thiiran-2-yl)phenyl]thiirane (CID 18410104) is 2-[3-(thiiran-2-yl)phenyl]thiirane.
What is the SMILES notation for 2-[3-(thiiran-2-yl)phenyl]thiirane?
The canonical SMILES for 2-[3-(thiiran-2-yl)phenyl]thiirane is c1cc(C2CS2)cc(C2CS2)c1.
What is the InChIKey of 2-[3-(thiiran-2-yl)phenyl]thiirane?
The InChIKey is RGXANJLKBYGAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S2/c1-2-7(9-5-11-9)4-8(3-1)10-6-12-10/h1-4,9-10H,5-6H2.
What are the key properties of 2-[3-(thiiran-2-yl)phenyl]thiirane?
2-[3-(thiiran-2-yl)phenyl]thiirane has a molecular weight of 194.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiiran-2-yl)phenyl]thiirane is sourced from PubChem (CID 18410104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).