Name: Name:5-(diethoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A463
Rating: 90 (10 reviews)

5-(diethoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol

CAS No.:

177028-37-4

Catalog Number:

AG01A463

Molecular Formula:

C8H15N3O2S

Molecular Weight:

217.2886

Catalog Number:

AG01A463

Chemical Name:

5-(diethoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol

CAS Number:

177028-37-4

Molecular Formula:

C8H15N3O2S

Molecular Weight:

217.2886

MDL Number:

MFCD23144254

IUPAC Name:

3-(diethoxymethyl)-4-methyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C8H15N3O2S/c1-4-12-7(13-5-2)6-9-10-8(14)11(6)3/h7H,4-5H2,1-3H3,(H,10,14)

InChI Key:

XFDRIWPFGHMLIS-UHFFFAOYSA-N

SMILES:

CCOC(c1nnc(n1C)S)OCC

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.287g/mol

Monoisotopic Mass:

217.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6