Name: Name:simazine mercapturate
Brand: Angene
SKU: AG00BDE6
Rating: 90 (10 reviews)

simazine mercapturate

CAS No.:

205764-69-8

Catalog Number:

AG00BDE6

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00BDE6

Chemical Name:

simazine mercapturate

CAS Number:

205764-69-8

MDL Number:

MFCD11616765

IUPAC Name:

(2R)-2-acetamido-3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid

InChI:

InChI=1S/C12H20N6O3S/c1-4-13-10-16-11(14-5-2)18-12(17-10)22-6-8(9(20)21)15-7(3)19/h8H,4-6H2,1-3H3,(H,15,19)(H,20,21)(H2,13,14,16,17,18)/t8-/m0/s1

InChI Key:

CSQCJPSBEYLCBK-QMMMGPOBSA-N

Complexity:

359

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

328.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.391g/mol

Monoisotopic Mass:

328.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

154A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1