2-propylsulfanylprop-2-en-1-ol

C6H12OS — CID 13331382

IUPAC2-propylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SCCC
InChIInChI=1S/C6H12OS/c1-3-4-8-6(2)5-7/h7H,2-5H2,1H3
InChIKeyKXACCMHLVOHOKS-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.64
Rot. Bonds4

About 2-propylsulfanylprop-2-en-1-ol

2-propylsulfanylprop-2-en-1-ol (PubChem CID 13331382) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-propylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-propylsulfanylprop-2-en-1-ol
PubChem CID13331382
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-propylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SCCC
InChIInChI=1S/C6H12OS/c1-3-4-8-6(2)5-7/h7H,2-5H2,1H3
InChIKeyKXACCMHLVOHOKS-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-propylsulfanylprop-2-en-1-ol (CID 13331382) is 2-propylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-propylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-propylsulfanylprop-2-en-1-ol is C=C(CO)SCCC.
What is the InChIKey of 2-propylsulfanylprop-2-en-1-ol?
The InChIKey is KXACCMHLVOHOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-4-8-6(2)5-7/h7H,2-5H2,1H3.
What are the key properties of 2-propylsulfanylprop-2-en-1-ol?
2-propylsulfanylprop-2-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 13331382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).