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3-[(4-CHLOROBENZYL)SULFANYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE

3-[(4-CHLOROBENZYL)SULFANYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE structure

CAS No:
338778-09-9
Formula:
C12H9ClN2S2
Chemical Name:
3-[(4-CHLOROBENZYL)SULFANYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE
Synonyms:
3-[(4-CHLOROBENZYL)SULFANYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE

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3-[(4-CHLOROBENZYL)SULFANYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE Basic Attributes

Molecular Weight：

280.8

Exact Mass：

279.99

Characteristics

PSA：

90.2

XLogP3：

4.1

Water Solubility：

<0.3 [ug/mL]

Computed Properties

Molecular Weight:280.8
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:279.9895683
Monoisotopic Mass:279.9895683
Topological Polar Surface Area:90.2
Heavy Atom Count:17
Complexity:296
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(4-CHLOROBENZYL)SULFANYL]-5-METHYL-4-ISOTHIAZOLECARBONITRILE

Basic Attributes
Characteristics
Computed Properties

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