200,000+ products from a single source!
sales@angenechem.com
22258-70-4 | 2(3H)-Benzothiazolethione,3-(2-hydroxyethyl)-
CAS No: 22258-70-4 Catalog No: AG006Z5J MDL No:
Product Description
Catalog Number:
AG006Z5J
Chemical Name:
2(3H)-Benzothiazolethione,3-(2-hydroxyethyl)-
CAS Number:
22258-70-4
Molecular Formula:
C9H9NOS2
Molecular Weight:
211.3039
IUPAC Name:
3-(2-hydroxyethyl)-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NOS2/c11-6-5-10-7-3-1-2-4-8(7)13-9(10)12/h1-4,11H,5-6H2
InChI Key:
DMSMCVJAYYDJHS-UHFFFAOYSA-N
SMILES:
OCCn1c(=S)sc2c1cccc2
NSC Number:
120954
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.