Name: Name:2H-Thiopyran-5-carboxylicacid, 3,4-dihydro-, 1-oxide
Brand: Angene
SKU: AG0069L5
Rating: 90 (10 reviews)

2H-Thiopyran-5-carboxylicacid, 3,4-dihydro-, 1-oxide

CAS No.:

98136-05-1

Catalog Number:

AG0069L5

Molecular Formula:

C6H8O3S

Molecular Weight:

160.1909

Catalog Number:

AG0069L5

Chemical Name:

2H-Thiopyran-5-carboxylicacid, 3,4-dihydro-, 1-oxide

CAS Number:

98136-05-1

Molecular Formula:

C6H8O3S

Molecular Weight:

160.1909

MDL Number:

MFCD20646256

IUPAC Name:

1-oxo-3,4-dihydro-2H-thiopyran-5-carboxylic acid

InChI:

InChI=1S/C6H8O3S/c7-6(8)5-2-1-3-10(9)4-5/h4H,1-3H2,(H,7,8)

InChI Key:

LCZRJEBLZAGQDW-UHFFFAOYSA-N

SMILES:

O=S1CCCC(=C1)C(=O)O

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.187g/mol

Monoisotopic Mass:

160.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5