2-methylthiirane;thiirane

C5H10S2 — CID 22367971

IUPAC2-methylthiirane;thiirane
SMILESC1CS1.CC1CS1
InChIInChI=1S/C3H6S.C2H4S/c1-3-2-4-3;1-2-3-1/h3H,2H2,1H3;1-2H2
InChIKeyWCIINKICRPVMDM-UHFFFAOYSA-N
MW134.27 g/mol
LogP1.85
Rot. Bonds

About 2-methylthiirane;thiirane

2-methylthiirane;thiirane (PubChem CID 22367971) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 2-methylthiirane;thiirane.

Molecular Properties

Compound Name2-methylthiirane;thiirane
PubChem CID22367971
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name2-methylthiirane;thiirane
SMILESC1CS1.CC1CS1
InChIInChI=1S/C3H6S.C2H4S/c1-3-2-4-3;1-2-3-1/h3H,2H2,1H3;1-2H2
InChIKeyWCIINKICRPVMDM-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 51.85
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

2,2'-(Disulfanediylbis(methylene))bis(thiirane)
CID 57402
1,1'-Thiobis(2,3-epithiopropane)
CID 10976066
2-(Methylsulfanylmethyl)thiirane
CID 474251
2-Methyl-3-[(3-methylthiiran-2-yl)disulfanyl]thiirane
CID 17799443
2-[[2-(Thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
CID 18541670
2,2'-[Selanylbis(methylene)]bis(thiirane)
CID 18760598
2-Methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane
CID 18760614
2-(Thiiran-2-ylmethylselanylmethylselanylmethyl)thiirane
CID 18760616
2-[(Thiiran-2-ylmethyldiselanyl)methyl]thiirane
CID 18760637
2-(Thiiran-2-ylmethyl)thiirane
CID 21987805
2-[[1-(Thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
CID 22388724
2-[[(Thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyl]thiirane
CID 22388735

Frequently Asked Questions

What is the IUPAC name of 2-methylthiirane;thiirane?
The IUPAC name of 2-methylthiirane;thiirane (CID 22367971) is 2-methylthiirane;thiirane.
What is the SMILES notation for 2-methylthiirane;thiirane?
The canonical SMILES for 2-methylthiirane;thiirane is C1CS1.CC1CS1.
What is the InChIKey of 2-methylthiirane;thiirane?
The InChIKey is WCIINKICRPVMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S.C2H4S/c1-3-2-4-3;1-2-3-1/h3H,2H2,1H3;1-2H2.
What are the key properties of 2-methylthiirane;thiirane?
2-methylthiirane;thiirane has a molecular weight of 134.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiirane;thiirane is sourced from PubChem (CID 22367971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).