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(1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea

(1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea structure

CAS No:
113367-99-0
Formula:
C16H15N7O2S
Chemical Name:
(1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea
Synonyms:
Urea,1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolyl; Thiourea,N-(imino((5-nitro-1H-benzimidazol-2-yl)amino)methyl)-N'-(2-methylphenyl); 1-((5-Nitro-2-benzimidazolyl)amidino)-2-thio-3-o-tolylurea;

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(1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea Basic Attributes

Molecular Weight：

369.40100

Exact Mass：

369.10079392

DSSTox ID：

DTXSID60150373

Characteristics

PSA：

173.57000

XLogP3：

4.42010

Density：

1.55g/cm3

Boiling Point：

616.2ºC

Flash Point：

326.5ºC

Refractive Index：

1.767

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:369.4
XLogP3:2.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:369.10079392
Monoisotopic Mass:369.10079392
Topological Polar Surface Area:169
Heavy Atom Count:26
Complexity:567
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1E)-1-[amino-[(6-nitro-1H-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea

Basic Attributes
Characteristics
Computed Properties

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