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Hexanethioic acid, S-methyl ester

Hexanethioic acid, S-methyl ester structure

CAS No:
2432-77-1
Formula:
C7H14OS
Chemical Name:
Hexanethioic acid, S-methyl ester
Synonyms:
Hexanethioic acid,S-methyl ester;S-Methyl hexanethioate;S-Methyl thiohexanoate;1-(Methylsulfanyl)hexan-1-one
Categories:
Agrochemicals > Pesticide Intermediates

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Description

S-Methyl hexanethioate is a thioester.

Hexanethioic acid, S-methyl ester Basic Attributes

Molecular Weight：

146.25000

Exact Mass：

146.25

EC Number：

219-410-8

UNII：

MC7G128ACI

DSSTox ID：

DTXSID1062417

HScode：

2930909090

Characteristics

PSA：

42.37000

XLogP3：

2.45630

Density：

0.942g/cm3

Boiling Point：

62 °C @ Press: 15 Torr

Flash Point：

60.5ºC

Refractive Index：

1.46

Water Solubility：

1066 mg/L @ 25 °C (est)

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (97.78%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 91 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hexanethioic acid, S-methyl ester Use and Manufacturing

Manufacturing Info：

Hexanethioic acid, S-methyl ester: ACTIVE

Computed Properties

Molecular Weight:146.25
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:146.07653624
Monoisotopic Mass:146.07653624
Topological Polar Surface Area:42.4
Heavy Atom Count:9
Complexity:81
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexanethioic acid, S-methyl ester

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

Hexanethioic acid, S-methyl ester

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