200,000+ products from a single source!
sales@angenechem.com
199172-87-7 | Carbamic acid, butyl-, 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester (9CI)
CAS No: 199172-87-7 Catalog No: AG002BY2 MDL No:
Product Description
Catalog Number:
AG002BY2
Chemical Name:
Carbamic acid, butyl-, 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester (9CI)
CAS Number:
199172-87-7
Molecular Formula:
C15H20N2O3S
Molecular Weight:
308.3959
IUPAC Name:
3-(3-oxo-1,2-benzothiazol-2-yl)propyl N-butylcarbamate
InChI:
InChI=1S/C15H20N2O3S/c1-2-3-9-16-15(19)20-11-6-10-17-14(18)12-7-4-5-8-13(12)21-17/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,16,19)
InChI Key:
WROVXHUSCQJEFQ-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)OCCCn1sc2c(c1=O)cccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.396g/mol
Monoisotopic Mass:
308.119g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.