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N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)-N'-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANE-1,2-DIAMIDE
CAS:
33371-71-0
MW:
388.464
MF:
C16H16N6O2S2
 
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Names and ldentifier
NMR Spectrum
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)-N'-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANE-1,2-DIAMIDE
1.2 Synonyms
N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)-N'-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANE-1,2-DIAMIDE;
1.3 CAS No.
33371-71-0
1.4 CID
1549353
1.5 Molecular Formula
C16H16N6O2S2
1.6 Inchi
InChI=1S/C16H16N6O2S2/c23-13(19-21-15(25)17-11-7-3-1-4-8-11)14(24)20-22-16(26)18-12-9-5-2-6-10-12/h1-10H,(H,19,23)(H,20,24)(H2,17,21,25)(H2,18,22,26)
1.7 InChkey
PRMYDHXIMVQHMP-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)NC(=S)NNC(=O)C(=O)NNC(=S)NC2=CC=CC=C2
1.9 Isomers Smiles
C1=CC=C(C=C1)NC(=S)NNC(=O)C(=O)NNC(=S)NC2=CC=CC=C2
2. NMR Spectrum
13C NMR : Predict
1H NMR : Predict
3. Synthesis Route
33371-71-0
Total: 1 Synthesis Route
996-98-5
79 Suppliers
103-72-0
43 Suppliers
33371-71-0
1 Suppliers
4. Precursor and Product
precursor:
103-72-0
996-98-5
5. Computed Properties
Molecular Weight:
388.464g/mol
Molecular Formula:
C
16
H
16
N
6
O
2
S
2
Compound Is Canonicalized:
True
Exact Mass:
3.3
XLogP3-AA:
388.07761612
Monoisotopic Mass:
388.07761612
Complexity:
473
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
171
Heavy Atom Count::
26
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceB7sABgAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQYAAAACAiBkAAxwILiAACMACVSUACCAAAhAgseqACAZIiIYCLAkZGEIAhwkAJIyCcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Toltal 1 Suppliers
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Menai Organics Ltd.
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Update Time:
2019/11/25
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7. Realated Product Infomation
N-PHENYL-4-[[(PHENYLAMINO)THIOXOMETHYL]AMINO]-BENZENESULFONAMIDE
cas:245342-14-7
N-(((4-((ISOPROPYL)PHENYLAMINO)PHENYL)AMINO)THIOXOMETHYL)BENZAMIDE
cas:1024081-63-7
2-(4-BROMOPHENOXY)-N-(((PHENYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE
cas:406190-67-8
Benzoic acid, 4-amino-, 2-[(phenylamino)thioxomethyl]hydrazide
cas:97620-01-4
(PHENYLAMINO)(4-((PHENYLAMINO)THIOXOMETHYL)PIPERAZINYL)METHANE-1-THIONE
cas:6337-94-6
ETHYL 4-((PHENYLAMINO)THIOXOMETHYL)PIPERAZINECARBOXYLATE
cas:332033-11-1
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
NMR Spectrum
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Toltal 1 Suppliers
7.
Realated Product Infomation
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