2-[[4-[(7-amino-5-sulfanylidene-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioic acid 51934-27-1 CAS NO.51934-27-1

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

Add to Inquiry Cart

Product Details

Keywords

2-[[4-[(9-amino-7-sulfanylidene-2,3,5,8,10-pentazabicyclo[4.4.0]deca-2,4,8,11-tetraen-4-yl)methylami
51934-27-1
98%

Quick Details

ProName: 2-[[4-[(7-amino-5-sulfanylidene-8H-pyr...
CasNo: 51934-27-1
Molecular Formula: C18H18N8O5S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

Superiority

our company was built in 2009 with an iso certificate.in the past 5 years, we have grown up as a famous fine chemicals supplier in china and we had established stable business relationships with samsung,lg,merck,thermo fisher scientific and so on.our main business covers the fields below:

1.noble metal catalysts (pt.pd...)

2.organic phosphine ligands (tert-butyl-phosphine.cyclohexyl-phosphine...)

3.oled intermediates (fluorene,carbazole,boric acid...)

4.customs synthesis

our advantage:

1. higest quality and good package

2.fast delivery

3.better payment term

4.fast response to customer within 6 hours

5.good business credit in europe ,us ,japan ,korea

anyway ,if you need any chemicals from china ,henan tianfu can help you

Details

identification and related records
【name】
n-[(4-{[(7-amino-5-thioxo-5,8-dihydropyrimido[5,4-e][1,2,4]triazin-3-yl)methyl]amino}phenyl)carbonyl]glutamic acid
【iupac name】
2-[[4-[(7-amino-5-sulfanylidene-8h-pyrimido[5,4-e][1,2,
4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioic acid
【cas registry number】
51934-27-1
【synonyms】
nsc173963
ac1ntll0
nsc-173963
2-[[4-[(7-amino-5-sulfanylidene-8h-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioic acid
51934-27-1
【molecular formula】
c18h18n8o5s (products with the same molecular formula)
【molecular weight】
458.4511
【inchi】
inchi=1/c18h18n8o5s/c19-18-23-14-13(16(32)24-18)22-11(25-26-14)7-20-9-3-1-8(2-4-9)15(29)21-10(17(30)31)5-6-12(27)28/h1-4,10,20h,5-7h2,(h,21,29)(h,27,28)(h,30,31)(h3,19,23,24,26,32)
【canonical smiles】
c1=cc(=cc=c1c(=o)nc(ccc(=o)o)c(=o)o)ncc2=nc3=c(nc(=nc3=s)n)n=n2
【mol file】
51934-27-1.mol
chemical and physical properties
【density】
1.75g/cm3
【refractive index】
1.809
【computed properties】
molecular weight:458.45112 [g/mol]
molecular formula:c18h18n8o5s
xlogp3-aa:-1.1
h-bond donor:6
h-bond acceptor:8
rotatable bond count:9
tautomer count:60
exact mass:458.112086
monoisotopic mass:458.112086
topological polar surface area:237
heavy atom count:32
formal charge:0
complexity:773
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:1
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:6
feature 3d donor count:4
feature 3d anion count:2
feature 3d cation count:3
feature 3d ring count:3
effective rotor count:10
conformer sampling rmsd:1
cid conformer count:98