4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol

C7H16OS2 — CID 86102175

IUPAC4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol
SMILESCSCC(CSC)C(C)O
InChIInChI=1S/C7H16OS2/c1-6(8)7(4-9-2)5-10-3/h6-8H,4-5H2,1-3H3
InChIKeyUUHASPALJFYYTN-UHFFFAOYSA-N
MW180.34 g/mol
LogP1.71
Rot. Bonds5

About 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol

4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol (PubChem CID 86102175) has the molecular formula C7H16OS2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol.

Molecular Properties

Compound Name4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol
PubChem CID86102175
Molecular FormulaC7H16OS2
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol
SMILESCSCC(CSC)C(C)O
InChIInChI=1S/C7H16OS2/c1-6(8)7(4-9-2)5-10-3/h6-8H,4-5H2,1-3H3
InChIKeyUUHASPALJFYYTN-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol?
The IUPAC name of 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol (CID 86102175) is 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol.
What is the SMILES notation for 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol?
The canonical SMILES for 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol is CSCC(CSC)C(C)O.
What is the InChIKey of 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol?
The InChIKey is UUHASPALJFYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS2/c1-6(8)7(4-9-2)5-10-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol?
4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol has a molecular weight of 180.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-3-(methylsulfanylmethyl)butan-2-ol is sourced from PubChem (CID 86102175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).