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4-Pyridylethylmercaptan

4-Pyridylethylmercaptan structure

CAS No:
2127-05-1
Formula:
C7H9NS
Chemical Name:
4-Pyridylethylmercaptan
Synonyms:
4-pyridoethanethiol;4-Pyridineethanethiol;4-Pyridylethylmercaptan;4-(2-Thioethyl)pyridine;Pyridine-4-(ethanethiol);2-(4-Pyridyl)ethanethiol;2-PYRIDIN-4-YL-ETHANTHIOL;2-(4-Pyridinyl)ethanethiol;4-(2-Mercaptoethyl)pyridine;2-(Pyridine-4-yl)ethanethiol
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light Yellow Liquid

4-Pyridylethylmercaptan Basic Attributes

Molecular Weight：

139.22

Exact Mass：

139.04600

DSSTox ID：

DTXSID90175519

HScode：

2933399090

Characteristics

PSA：

13.9

XLogP3：

1.55390

Density：

1.074g/cm3

Boiling Point：

247.1ºC at 760mmHg

Flash Point：

103.3ºC

Refractive Index：

1.558

Storage Conditions：

Amber Vial, Refrigerator, Under Inert Atmosphere

Vapor Pressure：

0.041mmHg at 25°C

Safety Information

Marks：

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-pyridoethanethiol

Computed Properties

Molecular Weight:139.22
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:139.04557046
Monoisotopic Mass:139.04557046
Topological Polar Surface Area:13.9
Heavy Atom Count:9
Complexity:69.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes