Name: Name:Acetonitrile, (2-benzothiazolylthio)- (8CI,9CI)
Brand: Angene
SKU: AG00BK8I
Rating: 90 (10 reviews)

Acetonitrile, (2-benzothiazolylthio)- (8CI,9CI)

CAS No.:

24793-01-9

Catalog Number:

AG00BK8I

Molecular Formula:

C9H6N2S2

Molecular Weight:

206.2873

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Product Description

Catalog Number:

AG00BK8I

Chemical Name:

Acetonitrile, (2-benzothiazolylthio)- (8CI,9CI)

CAS Number:

24793-01-9

Molecular Formula:

C9H6N2S2

Molecular Weight:

206.2873

MDL Number:

MFCD00104617

IUPAC Name:

2-(1,3-benzothiazol-2-ylsulfanyl)acetonitrile

InChI:

InChI=1S/C9H6N2S2/c10-5-6-12-9-11-7-3-1-2-4-8(7)13-9/h1-4H,6H2

InChI Key:

GWSJKSFGUSSSKQ-UHFFFAOYSA-N

SMILES:

N#CCSc1nc2c(s1)cccc2

Properties

Complexity:

223

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.281g/mol

Monoisotopic Mass:

205.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Synthesis and E/Z configuration determination of novel derivatives of 3-aryl-2-(benzothiazol-2'-ylthio) acrylonitrile, 3-(benzothiazol-2'-ylthio)-4-(furan-2''-yl)-3-buten-2-one and 2-(1-(furan-2''-yl)-3'-oxobut-1''-en-2-ylthio)-3-phenylquinazolin-4(3H)-one.	Molecules (Basel, Switzerland) 20110720

Properties