(2S)-3-ethenylsulfanyl-2-methylpropan-1-ol

C6H12OS — CID 90436677

IUPAC(2S)-3-ethenylsulfanyl-2-methylpropan-1-ol
SMILESC=CSC[C@@H](C)CO
InChIInChI=1S/C6H12OS/c1-3-8-5-6(2)4-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyBDBPBUJQIHMGKF-LURJTMIESA-N
MW132.23 g/mol
LogP1.49
Rot. Bonds4

About (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol

(2S)-3-ethenylsulfanyl-2-methylpropan-1-ol (PubChem CID 90436677) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-ethenylsulfanyl-2-methylpropan-1-ol
PubChem CID90436677
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2S)-3-ethenylsulfanyl-2-methylpropan-1-ol
SMILESC=CSC[C@@H](C)CO
InChIInChI=1S/C6H12OS/c1-3-8-5-6(2)4-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyBDBPBUJQIHMGKF-LURJTMIESA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol (CID 90436677) is (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol is C=CSC[C@@H](C)CO.
What is the InChIKey of (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol?
The InChIKey is BDBPBUJQIHMGKF-LURJTMIESA-N. The full InChI is InChI=1S/C6H12OS/c1-3-8-5-6(2)4-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1.
What are the key properties of (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol?
(2S)-3-ethenylsulfanyl-2-methylpropan-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethenylsulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 90436677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).