2,3-bis(methylsulfanyl)propan-1-ol

C5H12OS2 — CID 524105

IUPAC2,3-bis(methylsulfanyl)propan-1-ol
SMILESCSCC(CO)SC
InChIInChI=1S/C5H12OS2/c1-7-4-5(3-6)8-2/h5-6H,3-4H2,1-2H3
InChIKeyNWIGMDHZYOQICC-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.07
Rot. Bonds4

About 2,3-bis(methylsulfanyl)propan-1-ol

2,3-bis(methylsulfanyl)propan-1-ol (PubChem CID 524105) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,3-bis(methylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2,3-bis(methylsulfanyl)propan-1-ol
PubChem CID524105
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name2,3-bis(methylsulfanyl)propan-1-ol
SMILESCSCC(CO)SC
InChIInChI=1S/C5H12OS2/c1-7-4-5(3-6)8-2/h5-6H,3-4H2,1-2H3
InChIKeyNWIGMDHZYOQICC-UHFFFAOYSA-N
XLogP1.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylsulfanyl)propan-1-ol?
The IUPAC name of 2,3-bis(methylsulfanyl)propan-1-ol (CID 524105) is 2,3-bis(methylsulfanyl)propan-1-ol.
What is the SMILES notation for 2,3-bis(methylsulfanyl)propan-1-ol?
The canonical SMILES for 2,3-bis(methylsulfanyl)propan-1-ol is CSCC(CO)SC.
What is the InChIKey of 2,3-bis(methylsulfanyl)propan-1-ol?
The InChIKey is NWIGMDHZYOQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-7-4-5(3-6)8-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-bis(methylsulfanyl)propan-1-ol?
2,3-bis(methylsulfanyl)propan-1-ol has a molecular weight of 152.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylsulfanyl)propan-1-ol is sourced from PubChem (CID 524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).