Home Carboxys 4H,6H,7H-thieno[3,2-c]thiopyran-2-carboxylic acid

4H,6H,7H-thieno[3,2-c]thiopyran-2-carboxylic acid

CAS No.:
933709-15-0
Catalog Number:
AG019ZX3
Molecular Formula:
C8H8O2S2
Molecular Weight:
200.2779
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Product Description
Catalog Number:
AG019ZX3
Chemical Name:
4H,6H,7H-thieno[3,2-c]thiopyran-2-carboxylic acid
CAS Number:
933709-15-0
Molecular Formula:
C8H8O2S2
Molecular Weight:
200.2779
MDL Number:
MFCD16045906
IUPAC Name:
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylic acid
InChI:
InChI=1S/C8H8O2S2/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2,(H,9,10)
InChI Key:
GNFCYTBCYXABDO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)CCSC2
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.997g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.27g/mol
Monoisotopic Mass:
199.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties