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2084-18-6 | 2-Butanethiol, 3-methyl-
CAS No: 2084-18-6 Catalog No: AG002JOS MDL No:MFCD00039648
Product Description
Catalog Number:
AG002JOS
Chemical Name:
2-Butanethiol, 3-methyl-
CAS Number:
2084-18-6
Molecular Formula:
C5H12S
Molecular Weight:
104.2138
MDL Number:
MFCD00039648
IUPAC Name:
3-methylbutane-2-thiol
InChI:
InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3
InChI Key:
BFLXFRNPNMTTAA-UHFFFAOYSA-N
SMILES:
CC(C(C)C)S
EC Number:
218-223-9
FEMA Number:
3304
UN Number:
1993
Properties
Complexity:
32.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.066g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.211g/mol
Monoisotopic Mass:
104.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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