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Home > Fluorides > 318258-18-3
318258-18-3 | 4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-2-thiol
CAS No: 318258-18-3 Catalog No: AG01F2BY MDL No:
Product Description
Catalog Number:
AG01F2BY
Chemical Name:
4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-2-thiol
CAS Number:
318258-18-3
Molecular Formula:
C9H9F3N2S
Molecular Weight:
234.2414
IUPAC Name:
4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinazoline-2-thione
InChI:
InChI=1S/C9H9F3N2S/c10-9(11,12)7-5-3-1-2-4-6(5)13-8(15)14-7/h1-4H2,(H,13,14,15)
InChI Key:
CMQQXAWOTCAVBD-UHFFFAOYSA-N
SMILES:
Sc1nc2CCCCc2c(n1)C(F)(F)F
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.24g/mol
Monoisotopic Mass:
234.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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