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Methyl N-[[(2-aminophenyl)amino]thioxomethyl]carbamate

Methyl N-[[(2-aminophenyl)amino]thioxomethyl]carbamate structure

CAS No:
27079-29-4
Formula:
C9H11N3O2S
Chemical Name:
Methyl N-[[(2-aminophenyl)amino]thioxomethyl]carbamate
Synonyms:
Carbamic acid,N-[[(2-aminophenyl)amino]thioxomethyl]-,methyl ester;Allophanic acid,4-(o-aminophenyl)-3-thio-,methyl ester;Carbamic acid,[[(2-aminophenyl)amino]thioxomethyl]-,methyl ester;Methyl N-[[(2-aminophenyl)amino]thioxomethyl]carbamate;NF 48;2-[3-(Methoxycarbonyl)thioureido]aniline;2-(3-Methoxycarbonyl-2-thioureido)aniline;Thiophamine;Methyl 4-(o-aminophenyl)-3-thioallophanate;2-(3-Carbomethoxythioureido)aniline;2-Amino[(methoxycarbonyl)thioureido]benzene

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Methyl N-[[(2-aminophenyl)amino]thioxomethyl]carbamate Basic Attributes

Molecular Weight：

225.26800

Exact Mass：

225.27

UNII：

0871K2HV9N

DSSTox ID：

DTXSID10181551

Characteristics

PSA：

119.00000

XLogP3：

2.32770

Density：

1.395g/cm3

Melting Point：

184-185 °C (decomp) @ Solvent: Methanol

Refractive Index：

1.694

Computed Properties

Molecular Weight:225.27
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:225.05719778
Monoisotopic Mass:225.05719778
Topological Polar Surface Area:109
Heavy Atom Count:15
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl N-[[(2-aminophenyl)amino]thioxomethyl]carbamate

Basic Attributes
Characteristics
Computed Properties
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