200,000+ products from a single source!
sales@angenechem.com
94088-75-2 | 4-THIAZOLEETHANETHIOIC ACID
CAS No: 94088-75-2 Catalog No: AG00687C MDL No:
Product Description
Catalog Number:
AG00687C
Chemical Name:
4-THIAZOLEETHANETHIOIC ACID
CAS Number:
94088-75-2
Molecular Formula:
C5H5NOS2
Molecular Weight:
159.2293
IUPAC Name:
S-(1,3-benzothiazol-2-yl) (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
InChI:
InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10+
InChI Key:
COFDRZLHVALCDU-LICLKQGHSA-N
SMILES:
OC(=S)Cc1cscn1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
349.997g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.429g/mol
Monoisotopic Mass:
349.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.