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1221397-62-1 | METHYL 2-METHYL-3-SULFANYLBUTANOATE
CAS No: 1221397-62-1 Catalog No: AG01DSUR MDL No:MFCD21913879
Product Description
Catalog Number:
AG01DSUR
Chemical Name:
METHYL 2-METHYL-3-SULFANYLBUTANOATE
CAS Number:
1221397-62-1
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD21913879
IUPAC Name:
methyl 2-methyl-3-sulfanylbutanoate
InChI:
InChI=1S/C6H12O2S/c1-4(5(2)9)6(7)8-3/h4-5,9H,1-3H3
InChI Key:
FVYZIVHUXNAJAL-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(S)C)C
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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