Name: Name:5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG0020SN
Rating: 90 (10 reviews)

5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol

CAS No.:

175277-94-8

Catalog Number:

AG0020SN

Molecular Formula:

C10H7F3N2S3

Molecular Weight:

308.3662

Catalog Number:

AG0020SN

Chemical Name:

5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol

CAS Number:

175277-94-8

Molecular Formula:

C10H7F3N2S3

Molecular Weight:

308.3662

MDL Number:

MFCD00052195

IUPAC Name:

5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C10H7F3N2S3/c11-10(12,13)7-3-1-2-6(4-7)5-17-9-15-14-8(16)18-9/h1-4H,5H2,(H,14,16)

InChI Key:

GYRMUGAZBJIPHZ-UHFFFAOYSA-N

SMILES:

S=c1[nH]nc(s1)SCc1cccc(c1)C(F)(F)F

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.972g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.355g/mol

Monoisotopic Mass:

307.972g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2