methylsulfinylmethane;propan-1-ol

C5H14O2S — CID 18368771

IUPACmethylsulfinylmethane;propan-1-ol
SMILESCCCO.CS(C)=O
InChIInChI=1S/C3H8O.C2H6OS/c1-2-3-4;1-4(2)3/h4H,2-3H2,1H3;1-2H3
InChIKeyIQOBUEFOYSGXEK-UHFFFAOYSA-N
MW138.23 g/mol
LogP0.38
Rot. Bonds1

About methylsulfinylmethane;propan-1-ol

methylsulfinylmethane;propan-1-ol (PubChem CID 18368771) has the molecular formula C5H14O2S and a molecular weight of 138.23 g/mol. Its IUPAC name is methylsulfinylmethane;propan-1-ol.

Molecular Properties

Compound Namemethylsulfinylmethane;propan-1-ol
PubChem CID18368771
Molecular FormulaC5H14O2S
Molecular Weight138.23 g/mol
Exact Mass138.07
IUPAC Namemethylsulfinylmethane;propan-1-ol
SMILESCCCO.CS(C)=O
InChIInChI=1S/C3H8O.C2H6OS/c1-2-3-4;1-4(2)3/h4H,2-3H2,1H3;1-2H3
InChIKeyIQOBUEFOYSGXEK-UHFFFAOYSA-N
XLogP0.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;propan-1-ol?
The IUPAC name of methylsulfinylmethane;propan-1-ol (CID 18368771) is methylsulfinylmethane;propan-1-ol.
What is the SMILES notation for methylsulfinylmethane;propan-1-ol?
The canonical SMILES for methylsulfinylmethane;propan-1-ol is CCCO.CS(C)=O.
What is the InChIKey of methylsulfinylmethane;propan-1-ol?
The InChIKey is IQOBUEFOYSGXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H6OS/c1-2-3-4;1-4(2)3/h4H,2-3H2,1H3;1-2H3.
What are the key properties of methylsulfinylmethane;propan-1-ol?
methylsulfinylmethane;propan-1-ol has a molecular weight of 138.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;propan-1-ol is sourced from PubChem (CID 18368771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).