methylsulfinylmethane;propane-1,2-diol

C5H14O3S — CID 18469823

IUPACmethylsulfinylmethane;propane-1,2-diol
SMILESCC(O)CO.CS(C)=O
InChIInChI=1S/C3H8O2.C2H6OS/c1-3(5)2-4;1-4(2)3/h3-5H,2H2,1H3;1-2H3
InChIKeyPSNSZGZFBXASII-UHFFFAOYSA-N
MW154.23 g/mol
LogP-0.65
Rot. Bonds1

About methylsulfinylmethane;propane-1,2-diol

methylsulfinylmethane;propane-1,2-diol (PubChem CID 18469823) has the molecular formula C5H14O3S and a molecular weight of 154.23 g/mol. Its IUPAC name is methylsulfinylmethane;propane-1,2-diol.

Molecular Properties

Compound Namemethylsulfinylmethane;propane-1,2-diol
PubChem CID18469823
Molecular FormulaC5H14O3S
Molecular Weight154.23 g/mol
Exact Mass154.07
IUPAC Namemethylsulfinylmethane;propane-1,2-diol
SMILESCC(O)CO.CS(C)=O
InChIInChI=1S/C3H8O2.C2H6OS/c1-3(5)2-4;1-4(2)3/h3-5H,2H2,1H3;1-2H3
InChIKeyPSNSZGZFBXASII-UHFFFAOYSA-N
XLogP-0.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxypropyl methanethiolsulfonate
CID 93229
1-Hydroxypropan-2-yl methanesulfonate
CID 135730
1,2,3-Propanetriol, mixt. with sulfinylbis(methane)
CID 133256
1-Hydroxypropan-2-yl methanesulfonate, (2S)-
CID 12722012
1-Hydroxypropan-2-yl methanesulfonate, (2R)-
CID 119025854
1-Fluoro-3-(trimethyl-lambda4-sulfanyl)oxypropan-2-ol
CID 123948336
Methylsulfinylmethane;propan-1-ol
CID 18368771
Ethane-1,2-diol;methylsulfinylmethane
CID 18757553
3-Hydroxybutan-2-yl methanesulfonate
CID 21334840
3-Methylsulfinylpropane-1,2-diol
CID 22377909
1-Methylsulfinylbutane-2,3-diol
CID 54158205
1-Hydroxypropan-2-yloxy(dimethyl)sulfanium
CID 87072736

Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;propane-1,2-diol?
The IUPAC name of methylsulfinylmethane;propane-1,2-diol (CID 18469823) is methylsulfinylmethane;propane-1,2-diol.
What is the SMILES notation for methylsulfinylmethane;propane-1,2-diol?
The canonical SMILES for methylsulfinylmethane;propane-1,2-diol is CC(O)CO.CS(C)=O.
What is the InChIKey of methylsulfinylmethane;propane-1,2-diol?
The InChIKey is PSNSZGZFBXASII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H6OS/c1-3(5)2-4;1-4(2)3/h3-5H,2H2,1H3;1-2H3.
What are the key properties of methylsulfinylmethane;propane-1,2-diol?
methylsulfinylmethane;propane-1,2-diol has a molecular weight of 154.23 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;propane-1,2-diol is sourced from PubChem (CID 18469823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).