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318258-27-4 | (4-Trifluoromethyl-5,6,7,8-tetrahydroquinazolin-2-yl)thiourea
CAS No: 318258-27-4 Catalog No: AG01EUWF MDL No:
Product Description
Catalog Number:
AG01EUWF
Chemical Name:
(4-Trifluoromethyl-5,6,7,8-tetrahydroquinazolin-2-yl)thiourea
CAS Number:
318258-27-4
Molecular Formula:
C10H11F3N4S
Molecular Weight:
276.2813
IUPAC Name:
[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]thiourea
InChI:
InChI=1S/C10H11F3N4S/c11-10(12,13)7-5-3-1-2-4-6(5)15-9(16-7)17-8(14)18/h1-4H2,(H3,14,15,16,17,18)
InChI Key:
UHCBCGORKNVKAQ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nc2CCCCc2c(n1)C(F)(F)F
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.281g/mol
Monoisotopic Mass:
276.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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