Name: Name:1,2,4-Triazolidin-3-one,4-pentyl-5-thioxo-
Brand: Angene
SKU: AG0081CU
Rating: 90 (10 reviews)

1,2,4-Triazolidin-3-one,4-pentyl-5-thioxo-

CAS No.:

117987-05-0

Catalog Number:

AG0081CU

Molecular Formula:

C7H13N3OS

Molecular Weight:

187.2626

Catalog Number:

AG0081CU

Chemical Name:

1,2,4-Triazolidin-3-one,4-pentyl-5-thioxo-

CAS Number:

117987-05-0

Molecular Formula:

C7H13N3OS

Molecular Weight:

187.2626

MDL Number:

MFCD00207999

IUPAC Name:

4-pentyl-5-sulfanylidene-1,2,4-triazolidin-3-one

InChI:

InChI=1S/C7H13N3OS/c1-2-3-4-5-10-6(11)8-9-7(10)12/h2-5H2,1H3,(H,8,11)(H,9,12)

InChI Key:

ZQEYBERLQAZZPC-UHFFFAOYSA-N

SMILES:

CCCCCn1c(O)nnc1S

Complexity:

195

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.261g/mol

Monoisotopic Mass:

187.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5