Name: Name:ETHYL 1-(CARBAMOTHIOYLMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
Brand: Angene
SKU: AG01EICR
Rating: 90 (10 reviews)

ETHYL 1-(CARBAMOTHIOYLMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE

CAS No.:

1190234-57-1

Catalog Number:

AG01EICR

Molecular Formula:

C8H11N3O2S

Molecular Weight:

213.2568

Catalog Number:

AG01EICR

Chemical Name:

ETHYL 1-(CARBAMOTHIOYLMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE

CAS Number:

1190234-57-1

Molecular Formula:

C8H11N3O2S

Molecular Weight:

213.2568

MDL Number:

MFCD24643974

IUPAC Name:

ethyl 1-(2-amino-2-sulfanylideneethyl)pyrazole-4-carboxylate

InChI:

InChI=1S/C8H11N3O2S/c1-2-13-8(12)6-3-10-11(4-6)5-7(9)14/h3-4H,2,5H2,1H3,(H2,9,14)

InChI Key:

DFQLEGDDLVDFPY-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1)CC(=S)N

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.255g/mol

Monoisotopic Mass:

213.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1