 Home > Encyclopedia > 1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol

1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol

1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol structure

CAS No:
141816-39-9
Formula:
C18H37N3S3
Chemical Name:
1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol
Synonyms:
Tacn-1,4,7;

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1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol Basic Attributes

Molecular Weight：

391.70100

Exact Mass：

391.21496171

Characteristics

PSA：

126.12000

XLogP3：

3.31610

Density：

1.03g/cm3

Boiling Point：

493.5ºC

Flash Point：

252.2ºC

Refractive Index：

1.529

Vapor Pressure：

7.01E-10mmHg at 25°C

Drug Information

MeSH Entry Terms：

N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane

Computed Properties

Molecular Weight:391.7
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:391.21496171
Monoisotopic Mass:391.21496171
Topological Polar Surface Area:12.7
Heavy Atom Count:24
Complexity:392
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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