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54051-19-3 | METHYL3-MERCAPTOBUTANOATE
CAS No: 54051-19-3 Catalog No: AG00DFYH MDL No:MFCD03005234
Product Description
Catalog Number:
AG00DFYH
Chemical Name:
METHYL3-MERCAPTOBUTANOATE
CAS Number:
54051-19-3
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
MDL Number:
MFCD03005234
IUPAC Name:
methyl 3-sulfanylbutanoate
InChI:
InChI=1S/C5H10O2S/c1-4(8)3-5(6)7-2/h4,8H,3H2,1-2H3
InChI Key:
BHDKXXOGPCSBQI-UHFFFAOYSA-N
SMILES:
COC(=O)CC(S)C
FEMA Number:
4167
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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