Name: Name:2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile
Brand: Angene
SKU: AG01ELU0
Rating: 90 (10 reviews)

2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile

CAS No.:

735342-48-0

Catalog Number:

AG01ELU0

Molecular Formula:

C12H9ClN2S

Molecular Weight:

248.7313

Catalog Number:

AG01ELU0

Chemical Name:

2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile

CAS Number:

735342-48-0

Molecular Formula:

C12H9ClN2S

Molecular Weight:

248.7313

MDL Number:

MFCD04615252

IUPAC Name:

(E)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile

InChI:

InChI=1S/C12H9ClN2S/c1-8(6-13)9(7-14)12-15-10-4-2-3-5-11(10)16-12/h2-5H,6H2,1H3/b9-8+

InChI Key:

RMMQZJVCETZXHO-CMDGGOBGSA-N

SMILES:

N#CC(=C(CCl)C)c1nc2c(s1)cccc2

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.728g/mol

Monoisotopic Mass:

248.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6