 Home > Encyclopedia > 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-3-yl]thiourea

1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-3-yl]thiourea

1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-3-yl]thiourea structure

CAS No:
101613-93-8
Formula:
C34H25N5O7S3
Chemical Name:
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-3-yl]thiourea

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1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-3-yl]thiourea Basic Attributes

Molecular Weight：

711.78700

Exact Mass：

711.09161167

DSSTox ID：

DTXSID10144065

Characteristics

PSA：

260.52000

XLogP3：

8.52000

Density：

1.65g/cm3

Boiling Point：

956.1ºC

Flash Point：

532.1ºC

Refractive Index：

1.833

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

(2-nitroaniline-N-ethyldithio)-2-(pyridyl-5-thioureido-N'-(5-fluorescein))

Computed Properties

Molecular Weight:711.8
XLogP3:6.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:711.09161167
Monoisotopic Mass:711.09161167
Topological Polar Surface Area:254
Heavy Atom Count:49
Complexity:1170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[6-[2-(2-nitroanilino)ethyldisulfanyl]pyridin-3-yl]thiourea

Basic Attributes
Characteristics
Drug Information
Computed Properties

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