Name: Name:3-Furancarbothioicacid, S-(2,5-dimethyl-3-furanyl) ester
Brand: Angene
SKU: AG0039VI
Rating: 90 (10 reviews)

3-Furancarbothioicacid, S-(2,5-dimethyl-3-furanyl) ester

CAS No.:

65505-16-0

Catalog Number:

AG0039VI

Molecular Formula:

C11H10O3S

Molecular Weight:

222.2603

Catalog Number:

AG0039VI

Chemical Name:

3-Furancarbothioicacid, S-(2,5-dimethyl-3-furanyl) ester

CAS Number:

65505-16-0

Molecular Formula:

C11H10O3S

Molecular Weight:

222.2603

MDL Number:

MFCD01726021

IUPAC Name:

S-(2,5-dimethylfuran-3-yl) furan-3-carbothioate

InChI:

InChI=1S/C11H10O3S/c1-7-5-10(8(2)14-7)15-11(12)9-3-4-13-6-9/h3-6H,1-2H3

InChI Key:

QVKDTUVQQAKGEO-UHFFFAOYSA-N

SMILES:

Cc1oc(c(c1)SC(=O)c1cocc1)C

EC Number:

265-796-6

UNII:

UKO0R8C89U

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.258g/mol

Monoisotopic Mass:

222.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8