200,000+ products from a single source!
sales@angenechem.com
827599-10-0 | Benzoxazole, 2,3-dihydro-2,2-bis(methylthio)-
CAS No: 827599-10-0 Catalog No: AG005762 MDL No:
Product Description
Catalog Number:
AG005762
Chemical Name:
Benzoxazole, 2,3-dihydro-2,2-bis(methylthio)-
CAS Number:
827599-10-0
Molecular Formula:
C9H11NOS2
Molecular Weight:
213.3197
IUPAC Name:
2,2-bis(methylsulfanyl)-3H-1,3-benzoxazole
InChI:
InChI=1S/C9H11NOS2/c1-12-9(13-2)10-7-5-3-4-6-8(7)11-9/h3-6,10H,1-2H3
InChI Key:
UITFBMYKBIBVGM-UHFFFAOYSA-N
SMILES:
CSC1(SC)Nc2c(O1)cccc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.313g/mol
Monoisotopic Mass:
213.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.