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5-Benzothiazolemethanol, 4,5,6,7-tetrahydro-2-methyl-, 5-(4-methylbenzenesulfonate)

5-Benzothiazolemethanol, 4,5,6,7-tetrahydro-2-methyl-, 5-(4-methylbenzenesulfonate) structure

CAS No:
77528-66-6
Formula:
C16H19NO3S2
Chemical Name:
5-Benzothiazolemethanol, 4,5,6,7-tetrahydro-2-methyl-, 5-(4-methylbenzenesulfonate)
Synonyms:
5-Benzothiazolemethanol,4,5,6,7-tetrahydro-2-methyl-,5-(4-methylbenzenesulfonate);5-Benzothiazolemethanol,4,5,6,7-tetrahydro-2-methyl-,4-methylbenzenesulfonate (ester)

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5-Benzothiazolemethanol, 4,5,6,7-tetrahydro-2-methyl-, 5-(4-methylbenzenesulfonate) Basic Attributes

Molecular Weight：

337.45700

Exact Mass：

337.46

EC Number：

278-712-8

Characteristics

PSA：

92.88000

XLogP3：

4.35110

Density：

1.272g/cm3

Melting Point：

105-106 °C

Boiling Point：

502.6ºC

Flash Point：

257.8ºC

Refractive Index：

1.58

Computed Properties

Molecular Weight:337.5
XLogP3:3.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:337.08063582
Monoisotopic Mass:337.08063582
Topological Polar Surface Area:92.9
Heavy Atom Count:22
Complexity:468
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Benzothiazolemethanol, 4,5,6,7-tetrahydro-2-methyl-, 5-(4-methylbenzenesulfonate)

Basic Attributes
Characteristics
Computed Properties
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