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7342-42-9 | 2-(Thiophen-2-ylthio)acetic acid
CAS No: 7342-42-9 Catalog No: AG005E3L MDL No:MFCD01859892
Product Description
Catalog Number:
AG005E3L
Chemical Name:
2-(Thiophen-2-ylthio)acetic acid
CAS Number:
7342-42-9
Molecular Formula:
C6H6O2S2
Molecular Weight:
174.2406
MDL Number:
MFCD01859892
IUPAC Name:
2-thiophen-2-ylsulfanylacetic acid
InChI:
InChI=1S/C6H6O2S2/c7-5(8)4-10-6-2-1-3-9-6/h1-3H,4H2,(H,7,8)
InChI Key:
FGTPHFGZGZOZGD-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1cccs1
NSC Number:
74725
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.232g/mol
Monoisotopic Mass:
173.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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