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89639-76-9 | 2-(thien-2-ylsulfanyl)propanoic acid
CAS No: 89639-76-9 Catalog No: AG003WHV MDL No:MFCD01859971
Product Description
Catalog Number:
AG003WHV
Chemical Name:
2-(thien-2-ylsulfanyl)propanoic acid
CAS Number:
89639-76-9
Molecular Formula:
C7H8O2S2
Molecular Weight:
188.2672
MDL Number:
MFCD01859971
IUPAC Name:
2-thiophen-2-ylsulfanylpropanoic acid
InChI:
InChI=1S/C7H8O2S2/c1-5(7(8)9)11-6-3-2-4-10-6/h2-5H,1H3,(H,8,9)
InChI Key:
UBCAFGZJVJMJRF-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1cccs1)C
NSC Number:
74726
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.259g/mol
Monoisotopic Mass:
187.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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