200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 140894-96-8
140894-96-8 | Carbamothioic acid, butyl(1-methylethyl)-, S-butyl ester (9CI)
CAS No: 140894-96-8 Catalog No: AG001CYJ MDL No:
Product Description
Catalog Number:
AG001CYJ
Chemical Name:
Carbamothioic acid, butyl(1-methylethyl)-, S-butyl ester (9CI)
CAS Number:
140894-96-8
Molecular Formula:
C12H25NOS
Molecular Weight:
231.3980
IUPAC Name:
S-butyl N-butyl-N-propan-2-ylcarbamothioate
InChI:
InChI=1S/C12H25NOS/c1-5-7-9-13(11(3)4)12(14)15-10-8-6-2/h11H,5-10H2,1-4H3
InChI Key:
JVIVHRYOLJLOKW-UHFFFAOYSA-N
SMILES:
CCCCSC(=O)N(C(C)C)CCCC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.166g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.398g/mol
Monoisotopic Mass:
231.166g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.