[(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid

Base Information

Chemical Name:[(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid
CAS No.:13909-30-3
Molecular Formula:C₁₁H₁₂ClN₃O₄S
Molecular Weight:317.753
Hs Code.:
NSC Number:91727
DSSTox Substance ID:DTXSID60293719
Wikidata:Q82032632
Mol file:13909-30-3.mol

Synonyms:13909-30-3;Acetic acid, [[p-[3-(2-chloroethyl)-3-nitrosoureido]phenyl]thio]-;[(4-{[(2-chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid;NSC91727;DTXSID60293719;NSC-91727;Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-

Suppliers and Price of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.48g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:317.0237047
Heavy Atom Count:20
Complexity:351

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1NC(=O)N(CCCl)N=O)SCC(=O)O

Technology Process of [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid

There total 2 articles about [(4-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}phenyl)sulfanyl]acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 104-18-7
2-(4-aminophenylthio)acetic acid

: 13909-30-3
C₁₁H₁₂ClN₃O₄S

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CHCl₃

2: NaNO₂, HCO₂H

With formic acid; triethylamine; sodium nitrite; In chloroform;
DOI:10.1021/jm00324a026