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4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one

4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one structure

CAS No:
135330-08-4
Formula:
C13H12ClNOS2
Chemical Name:
4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one
Synonyms:
4-Chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-3H-1,2-dithiol-3-one; 3H-1,2-Dithiol-3-one,4-chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl);

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4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one Basic Attributes

Molecular Weight：

297.82300

Exact Mass：

297.0048840 g/mol

Characteristics

PSA：

76.79000

XLogP3：

4.01190

Density：

1.46g/cm3

Boiling Point：

411.4ºC at 760 mmHg

Flash Point：

202.6ºC

Refractive Index：

1.707

Vapor Pressure：

5.59E-07mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-3H-1,2-dithiol-3-one

Computed Properties

Molecular Weight:297.8
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:297.0048840
Monoisotopic Mass:297.0048840
Topological Polar Surface Area:70.9
Heavy Atom Count:18
Complexity:399
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium stearate; sodium pentathol; thiophene; iodine chloride; calcium bromide formula; 2-methyl-2-butene

Guide of 4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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