2-Amino-4-trifluoromethylphenyl Disulfide - CAS 7038-40-6
Catalog: |
BB074444 |
Product Name: |
2-Amino-4-trifluoromethylphenyl Disulfide |
CAS: |
7038-40-6 |
Synonyms: |
2-Amino-4-trifluoromethylphenyl disulfide; 2-[[2-amino-4-(trifluoromethyl)phenyl]disulfanyl]-5-(trifluoromethyl)aniline |
IUPAC Name: | 2-[[2-amino-4-(trifluoromethyl)phenyl]disulfanyl]-5-(trifluoromethyl)aniline |
Description: | 2-Amino-4-trifluoromethylphenyl Disulfide |
Molecular Weight: | 384.36 |
Molecular Formula: | C14H10F6N2S2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)N)SSC2=C(C=C(C=C2)C(F)(F)F)N |
InChI: | InChI=1S/C14H10F6N2S2/c15-13(16,17)7-1-3-11(9(21)5-7)23-24-12-4-2-8(6-10(12)22)14(18,19)20/h1-6H,21-22H2 |
InChI Key: | HXDWRMYKQPNWEP-UHFFFAOYSA-N |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 384.01895965 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 384.01895965 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 103Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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