(3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane

C6H10S2 — CID 18714545

IUPAC(3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane
SMILESCC1S[C@H]1CC1CS1
InChIInChI=1S/C6H10S2/c1-4-6(8-4)2-5-3-7-5/h4-6H,2-3H2,1H3/t4?,5?,6-/m0/s1
InChIKeyAACKPSRTCGPGMB-WRVKLSGPSA-N
MW146.28 g/mol
LogP2.00
Rot. Bonds2

About (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane

(3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane (PubChem CID 18714545) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane.

Molecular Properties

Compound Name(3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane
PubChem CID18714545
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name(3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane
SMILESCC1S[C@H]1CC1CS1
InChIInChI=1S/C6H10S2/c1-4-6(8-4)2-5-3-7-5/h4-6H,2-3H2,1H3/t4?,5?,6-/m0/s1
InChIKeyAACKPSRTCGPGMB-WRVKLSGPSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane?
The IUPAC name of (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane (CID 18714545) is (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane.
What is the SMILES notation for (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane?
The canonical SMILES for (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane is CC1S[C@H]1CC1CS1.
What is the InChIKey of (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane?
The InChIKey is AACKPSRTCGPGMB-WRVKLSGPSA-N. The full InChI is InChI=1S/C6H10S2/c1-4-6(8-4)2-5-3-7-5/h4-6H,2-3H2,1H3/t4?,5?,6-/m0/s1.
What are the key properties of (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane?
(3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane has a molecular weight of 146.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-(thiiran-2-ylmethyl)thiirane is sourced from PubChem (CID 18714545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).