Name: Name:[(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile
Brand: Angene
SKU: AG019PST
Rating: 90 (10 reviews)

[(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile

CAS No.:

19688-92-7

Catalog Number:

AG019PST

Molecular Formula:

C6H8N4S

Molecular Weight:

168.2195

Catalog Number:

AG019PST

Chemical Name:

[(5-amino-1,3-dimethyl-1H-pyrazol-4-yl)sulfanyl]formonitrile

CAS Number:

19688-92-7

Molecular Formula:

C6H8N4S

Molecular Weight:

168.2195

MDL Number:

MFCD20441554

IUPAC Name:

(5-amino-1,3-dimethylpyrazol-4-yl) thiocyanate

InChI:

InChI=1S/C6H8N4S/c1-4-5(11-3-7)6(8)10(2)9-4/h8H2,1-2H3

InChI Key:

MYPHWOCJFGURMZ-UHFFFAOYSA-N

SMILES:

N#CSc1c(C)nn(c1N)C

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.218g/mol

Monoisotopic Mass:

168.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8