Name: Name:4-(4-ethylpiperazin-1-yl)-3-fluorobenzene-1-carbothioamide
Brand: Angene
SKU: AG019R6B
Rating: 90 (10 reviews)

4-(4-ethylpiperazin-1-yl)-3-fluorobenzene-1-carbothioamide

CAS No.:

1153267-82-3

Catalog Number:

AG019R6B

Molecular Formula:

C13H18FN3S

Molecular Weight:

267.3655

Catalog Number:

AG019R6B

Chemical Name:

4-(4-ethylpiperazin-1-yl)-3-fluorobenzene-1-carbothioamide

CAS Number:

1153267-82-3

Molecular Formula:

C13H18FN3S

Molecular Weight:

267.3655

MDL Number:

MFCD12110447

IUPAC Name:

4-(4-ethylpiperazin-1-yl)-3-fluorobenzenecarbothioamide

InChI:

InChI=1S/C13H18FN3S/c1-2-16-5-7-17(8-6-16)12-4-3-10(13(15)18)9-11(12)14/h3-4,9H,2,5-8H2,1H3,(H2,15,18)

InChI Key:

KMCKYRVQHQFOGV-UHFFFAOYSA-N

SMILES:

CCN1CCN(CC1)c1ccc(cc1F)C(=S)N

Complexity:

292

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.366g/mol

Monoisotopic Mass:

267.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8