chempirical

2-Methyl-2-butanethiol

C5H12SCAS 1679-09-0104.21 g/mol

Open in Covalent MOL file
SH
Thiol

Properties

Molecular formula
C5H12S
Molar mass
104.21 g/mol
Exact mass
104.0660 Da
Density
0.8259 g/mL (at 20 °C)
Boiling point
99.1 °C
logP
2.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1679-09-0
SMILES
CCC(C)(C)S
InChIKey
IQIBYAHJXQVQGB-UHFFFAOYSA-N
InChI
InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Butanethiol, 2-methyl-
  • tert-Amyl mercaptan
  • tert-Pentyl mercaptan
  • tert-Amylthiol
  • 1,1-Dimethyl-1-propanethiol
  • 2-Ethyl-2-propanethiol
  • NSC 229571
  • NSC 60251

Work with 2-Methyl-2-butanethiol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-3-aminopropane-2-thiol hydrochloride32047-53-339 % similar 3,3-Dimethylpentane562-49-239 % similar 2,2-Dimethylbutane75-83-239 % similar 1,1,1-Trifluoropropane421-07-837 % similar 4-Mercapto-4-methyl-2-pentanone19872-52-736 % similar 2-Bromo-2-methylbutane507-36-835 % similar tert-Amyl chloride594-36-533 % similar tert-Amylamine594-39-833 % similar

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

Same formula

1-Pentanethiol110-66-7 2-Methyl-1-butanethiol1878-18-8 3-Methyl-2-butanethiol2084-18-6 2-Pentanethiol2084-19-7 Ethyl propyl sulfide4110-50-3 3-Methyl-1-butanethiol541-31-1 Butyl methyl sulfide628-29-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook