(2S)-2-tert-butylsulfinylbutane

C8H18OS — CID 89078244

IUPAC(2S)-2-tert-butylsulfinylbutane
SMILESCC[C@H](C)S(=O)C(C)(C)C
InChIInChI=1S/C8H18OS/c1-6-7(2)10(9)8(3,4)5/h7H,6H2,1-5H3/t7-,10?/m0/s1
InChIKeyBTPQDBCQPJTRRJ-BYDSUWOYSA-N
MW162.30 g/mol
LogP2.33
Rot. Bonds2

About (2S)-2-tert-butylsulfinylbutane

(2S)-2-tert-butylsulfinylbutane (PubChem CID 89078244) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is (2S)-2-tert-butylsulfinylbutane.

Molecular Properties

Compound Name(2S)-2-tert-butylsulfinylbutane
PubChem CID89078244
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name(2S)-2-tert-butylsulfinylbutane
SMILESCC[C@H](C)S(=O)C(C)(C)C
InChIInChI=1S/C8H18OS/c1-6-7(2)10(9)8(3,4)5/h7H,6H2,1-5H3/t7-,10?/m0/s1
InChIKeyBTPQDBCQPJTRRJ-BYDSUWOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butylsulfinyl-N-ethylpentan-3-amine
CID 64652351
butane-2-sulfinic acid
CID 12672761
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
zinc bis(butane-2-sulfinate)
CID 88826639
N-(2-butan-2-ylsulfinylethyl)-2-methylpropan-2-amine
CID 64652936
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
1-butan-2-ylsulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64651287
2,3-dimethylpentan-2-yl(trimethyl)-λ4-sulfane
CID 146190296
2-tert-butylsulfinylpropanoic acid
CID 61301967
2,3-dimethylbutan-2-yl 2-ethyl-4,4-dimethylpentanoate
CID 123149081
bis(2-methylbutyl) sulfite
CID 87261553
3-butan-2-ylsulfinylpropan-1-amine
CID 58684272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butylsulfinylbutane?
The IUPAC name of (2S)-2-tert-butylsulfinylbutane (CID 89078244) is (2S)-2-tert-butylsulfinylbutane.
What is the SMILES notation for (2S)-2-tert-butylsulfinylbutane?
The canonical SMILES for (2S)-2-tert-butylsulfinylbutane is CC[C@H](C)S(=O)C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butylsulfinylbutane?
The InChIKey is BTPQDBCQPJTRRJ-BYDSUWOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-6-7(2)10(9)8(3,4)5/h7H,6H2,1-5H3/t7-,10?/m0/s1.
What are the key properties of (2S)-2-tert-butylsulfinylbutane?
(2S)-2-tert-butylsulfinylbutane has a molecular weight of 162.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butylsulfinylbutane is sourced from PubChem (CID 89078244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).