Name: Name:(R)-3-methyl-3-(methylthio)-1-(1H-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol
Brand: Angene
SKU: AG01DFLW
Rating: 90 (10 reviews)

(R)-3-methyl-3-(methylthio)-1-(1H-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol

CAS No.:

136067-84-0

Catalog Number:

AG01DFLW

Molecular Formula:

C15H18F3N3OS

Molecular Weight:

345.3831

Catalog Number:

AG01DFLW

Chemical Name:

(R)-3-methyl-3-(methylthio)-1-(1H-1,2,4-triazol-1-yl)-2-(4-(trifluoromethyl)phenyl)butan-2-ol

CAS Number:

136067-84-0

Molecular Formula:

C15H18F3N3OS

Molecular Weight:

345.3831

MDL Number:

MFCD31803435

IUPAC Name:

(2R)-3-methyl-3-methylsulfanyl-1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butan-2-ol

InChI:

InChI=1S/C15H18F3N3OS/c1-13(2,23-3)14(22,8-21-10-19-9-20-21)11-4-6-12(7-5-11)15(16,17)18/h4-7,9-10,22H,8H2,1-3H3/t14-/m0/s1

InChI Key:

ZIQGUQICDNXTBS-AWEZNQCLSA-N

SMILES:

CSC([C@@](c1ccc(cc1)C(F)(F)F)(Cn1ncnc1)O)(C)C

Complexity:

400

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.384g/mol

Monoisotopic Mass:

345.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8