2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane

C7H12S2 — CID 22238738

IUPAC2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane
SMILESCC1SC1CCC1CS1
InChIInChI=1S/C7H12S2/c1-5-7(9-5)3-2-6-4-8-6/h5-7H,2-4H2,1H3
InChIKeyBHCAQBYXOFIJLF-UHFFFAOYSA-N
MW160.31 g/mol
LogP2.39
Rot. Bonds3

About 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane

2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane (PubChem CID 22238738) has the molecular formula C7H12S2 and a molecular weight of 160.31 g/mol. Its IUPAC name is 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane.

Molecular Properties

Compound Name2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane
PubChem CID22238738
Molecular FormulaC7H12S2
Molecular Weight160.31 g/mol
Exact Mass160.04
IUPAC Name2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane
SMILESCC1SC1CCC1CS1
InChIInChI=1S/C7H12S2/c1-5-7(9-5)3-2-6-4-8-6/h5-7H,2-4H2,1H3
InChIKeyBHCAQBYXOFIJLF-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 52.39
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

(2S,3S)-2-ethyl-3-propylthiirane
CID 131847375
(2S,3R)-2-ethyl-3-propylthiirane
CID 134927665
(2R,3R)-2-ethyl-3-propylthiirane
CID 134927890
2-[4-(Thiiran-2-yl)butyl]thiirane
CID 12666045
2-Ethyl-3-propylthiirane
CID 15327183
2-Methyl-3-[(3-methylthiiran-2-yl)methyl]thiirane
CID 17781141
2-[Bis(3-methylthiiran-2-yl)methylsulfanylmethyl]-3-methylthiirane
CID 17781158
2-Methyl-3-[2-(3-methylthiiran-2-yl)ethyl]thiirane
CID 17781163
2-Methyl-3-[4-(3-methylthiiran-2-yl)butyl]thiirane
CID 17781174
(3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane
CID 18714545
2-Methyl-3-(3-methylthiiran-2-yl)sulfanylthiirane
CID 18760614
2-Methyl-3-(thiiran-2-ylmethyl)thiirane
CID 21987791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane?
The IUPAC name of 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane (CID 22238738) is 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane.
What is the SMILES notation for 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane?
The canonical SMILES for 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane is CC1SC1CCC1CS1.
What is the InChIKey of 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane?
The InChIKey is BHCAQBYXOFIJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S2/c1-5-7(9-5)3-2-6-4-8-6/h5-7H,2-4H2,1H3.
What are the key properties of 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane?
2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane has a molecular weight of 160.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(thiiran-2-yl)ethyl]thiirane is sourced from PubChem (CID 22238738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).