chempirical

Rel-(2R,3S)-3-Mercapto-2-butanol

C4H10OSCAS 37887-04-0106.18 g/mol

Open in Covalent MOL file
HOSH
AlcoholThiol

Properties

Molecular formula
C4H10OS
Molar mass
106.18 g/mol
Exact mass
106.0452 Da
logP
0.69Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
37887-04-0
SMILES
C[C@H](O)[C@@H](C)S
InChIKey
MJQWABQELVFQJL-PWECYVOMNA-N
InChI
InChI=1/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+/s2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 2-Butanol, 3-mercapto-, (2R,3S)-rel-
  • 2-Butanol, 3-mercapto-, (R*,S*)-

Work with Rel-(2R,3S)-3-Mercapto-2-butanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Mercapto-2-butanol54812-86-1Stereo not defined

Similar compounds

3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol54957-02-754 % similar (+)-2,3-Butanediol19132-06-050 % similar (2R,3R)-Butanediol24347-58-850 % similar 2,3-Butanedithiol4532-64-350 % similar 2,3-Butanediol513-85-950 % similar 3-Methyl-2-butanethiol2084-18-642 % similar 3-Methyl-2,4-pentanediol5683-44-342 % similar 3-Methyl-2-butanol598-75-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Ethylthio)ethanol110-77-0 Methionol505-10-2

Elsewhere

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