ethyl (R)-butane-1-sulfinate

C6H14O2S — CID 175883335

IUPACethyl (R)-butane-1-sulfinate
SMILESCCCC[S@](=O)OCC
InChIInChI=1S/C6H14O2S/c1-3-5-6-9(7)8-4-2/h3-6H2,1-2H3/t9-/m1/s1
InChIKeyUPCHWHSGSGLGGA-SECBINFHSA-N
MW150.24 g/mol
LogP1.49
Rot. Bonds5

About ethyl (R)-butane-1-sulfinate

ethyl (R)-butane-1-sulfinate (PubChem CID 175883335) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is ethyl (R)-butane-1-sulfinate.

Molecular Properties

Compound Nameethyl (R)-butane-1-sulfinate
PubChem CID175883335
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Nameethyl (R)-butane-1-sulfinate
SMILESCCCC[S@](=O)OCC
InChIInChI=1S/C6H14O2S/c1-3-5-6-9(7)8-4-2/h3-6H2,1-2H3/t9-/m1/s1
InChIKeyUPCHWHSGSGLGGA-SECBINFHSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl tridecane-1-sulfinate
CID 174876720
fluoro butane-1-sulfinate
CID 86758562
ethyl hexyl sulfite
CID 87282770
1-propylsulfinylbutane
CID 564183
hexane;oxomercury
CID 174814256
pentyl undecyl sulfite
CID 6421050
pentadecyl pentyl sulfite
CID 6421054
butyl pentyl sulfite
CID 6420768
5-butylsulfinylpentanenitrile
CID 64691945
ethyl 2-butylsulfinylprop-2-enoate
CID 175480859
1-heptadecylsulfinylheptadecane
CID 54059826
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441

Frequently Asked Questions

What is the IUPAC name of ethyl (R)-butane-1-sulfinate?
The IUPAC name of ethyl (R)-butane-1-sulfinate (CID 175883335) is ethyl (R)-butane-1-sulfinate.
What is the SMILES notation for ethyl (R)-butane-1-sulfinate?
The canonical SMILES for ethyl (R)-butane-1-sulfinate is CCCC[S@](=O)OCC.
What is the InChIKey of ethyl (R)-butane-1-sulfinate?
The InChIKey is UPCHWHSGSGLGGA-SECBINFHSA-N. The full InChI is InChI=1S/C6H14O2S/c1-3-5-6-9(7)8-4-2/h3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (R)-butane-1-sulfinate?
ethyl (R)-butane-1-sulfinate has a molecular weight of 150.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (R)-butane-1-sulfinate is sourced from PubChem (CID 175883335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).