Name: Name:2-(5-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile
Brand: Angene
SKU: AG01DYTQ
Rating: 90 (10 reviews)

2-(5-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile

CAS No.:

1694603-12-7

Catalog Number:

AG01DYTQ

Molecular Formula:

C8H8N2OS

Molecular Weight:

180.2269

Catalog Number:

AG01DYTQ

Chemical Name:

2-(5-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile

CAS Number:

1694603-12-7

Molecular Formula:

C8H8N2OS

Molecular Weight:

180.2269

MDL Number:

MFCD31690594

IUPAC Name:

2-(5-formyl-1,3-thiazol-2-yl)-2-methylpropanenitrile

InChI:

InChI=1S/C8H8N2OS/c1-8(2,5-9)7-10-3-6(4-11)12-7/h3-4H,1-2H3

InChI Key:

IVVXYSDKQBNZQB-UHFFFAOYSA-N

SMILES:

O=Cc1cnc(s1)C(C#N)(C)C

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.225g/mol

Monoisotopic Mass:

180.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4