200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 306935-45-5
306935-45-5 | Carbamic acid, [(4,5-dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 306935-45-5 Catalog No: AG0030VP MDL No:MFCD01570689
Product Description
Catalog Number:
AG0030VP
Chemical Name:
Carbamic acid, [(4,5-dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
306935-45-5
Molecular Formula:
C14H18N4O2S
Molecular Weight:
306.3833
MDL Number:
MFCD01570689
IUPAC Name:
tert-butyl N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]carbamate
InChI:
InChI=1S/C14H18N4O2S/c1-14(2,3)20-13(19)15-9-11-16-17-12(21)18(11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,19)(H,17,21)
InChI Key:
MLKWKXJCGAYVOB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1n[nH]c(=S)n1c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.384g/mol
Monoisotopic Mass:
306.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.