2,3-dimethyl-3-methylsulfanylbutan-2-ol

C7H16OS — CID 54519433

IUPAC2,3-dimethyl-3-methylsulfanylbutan-2-ol
SMILESCSC(C)(C)C(C)(C)O
InChIInChI=1S/C7H16OS/c1-6(2,8)7(3,4)9-5/h8H,1-5H3
InChIKeyYOSNVYIDZYZGHX-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.90
Rot. Bonds2

About 2,3-dimethyl-3-methylsulfanylbutan-2-ol

2,3-dimethyl-3-methylsulfanylbutan-2-ol (PubChem CID 54519433) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2,3-dimethyl-3-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-methylsulfanylbutan-2-ol
PubChem CID54519433
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2,3-dimethyl-3-methylsulfanylbutan-2-ol
SMILESCSC(C)(C)C(C)(C)O
InChIInChI=1S/C7H16OS/c1-6(2,8)7(3,4)9-5/h8H,1-5H3
InChIKeyYOSNVYIDZYZGHX-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-methylsulfanylbutan-2-ol?
The IUPAC name of 2,3-dimethyl-3-methylsulfanylbutan-2-ol (CID 54519433) is 2,3-dimethyl-3-methylsulfanylbutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-methylsulfanylbutan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-methylsulfanylbutan-2-ol is CSC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-methylsulfanylbutan-2-ol?
The InChIKey is YOSNVYIDZYZGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-6(2,8)7(3,4)9-5/h8H,1-5H3.
What are the key properties of 2,3-dimethyl-3-methylsulfanylbutan-2-ol?
2,3-dimethyl-3-methylsulfanylbutan-2-ol has a molecular weight of 148.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-methylsulfanylbutan-2-ol is sourced from PubChem (CID 54519433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).