cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane

C12H24S2 — CID 6427462

IUPACcis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane
SMILESCS[C@@H]1C(C)CCC(C(C)C)[C@@H]1SC
InChIInChI=1S/C12H24S2/c1-8(2)10-7-6-9(3)11(13-4)12(10)14-5/h8-12H,6-7H2,1-5H3/t9?,10?,11-,12+/m1/s1
InChIKeyWYXMBTZBVVOMRW-HCWSGVFWSA-N
MW232.46 g/mol
LogP4.15
Rot. Bonds3

About cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane

cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane (PubChem CID 6427462) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Namecis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane
PubChem CID6427462
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Namecis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane
SMILESCS[C@@H]1C(C)CCC(C(C)C)[C@@H]1SC
InChIInChI=1S/C12H24S2/c1-8(2)10-7-6-9(3)11(13-4)12(10)14-5/h8-12H,6-7H2,1-5H3/t9?,10?,11-,12+/m1/s1
InChIKeyWYXMBTZBVVOMRW-HCWSGVFWSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
The IUPAC name of cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane (CID 6427462) is cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane is CS[C@@H]1C(C)CCC(C(C)C)[C@@H]1SC.
What is the InChIKey of cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
The InChIKey is WYXMBTZBVVOMRW-HCWSGVFWSA-N. The full InChI is InChI=1S/C12H24S2/c1-8(2)10-7-6-9(3)11(13-4)12(10)14-5/h8-12H,6-7H2,1-5H3/t9?,10?,11-,12+/m1/s1.
What are the key properties of cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane?
cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane has a molecular weight of 232.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-1-methyl-2,3-bis(methylsulfanyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 6427462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).