Name: Name:2-CHLORO-N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-ACETAMIDE
Brand: Angene
SKU: AG00BZ68
Rating: 90 (10 reviews)

2-CHLORO-N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-ACETAMIDE

CAS No.:

315684-12-9

Catalog Number:

AG00BZ68

Molecular Formula:

C12H13ClN2OS

Molecular Weight:

268.7624

Catalog Number:

AG00BZ68

Chemical Name:

2-CHLORO-N-(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)-ACETAMIDE

CAS Number:

315684-12-9

Molecular Formula:

C12H13ClN2OS

Molecular Weight:

268.7624

MDL Number:

MFCD02329393

IUPAC Name:

2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide

InChI:

InChI=1S/C12H13ClN2OS/c13-6-11(16)15-12-9(7-14)8-4-2-1-3-5-10(8)17-12/h1-6H2,(H,15,16)

InChI Key:

LFUMGIOQKSBEQA-UHFFFAOYSA-N

SMILES:

ClCC(=O)Nc1sc2c(c1C#N)CCCCC2

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.759g/mol

Monoisotopic Mass:

268.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8