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Home > Encyclopedia > 3,5-Dimethylbenzenethiol

3,5-Dimethylbenzenethiol

3,5-Dimethylbenzenethiol structure

3,5-Dimethylbenzenethiol 

structure
  • CAS No:

    38360-81-5

  • Formula:

    C8H10S

  • Chemical Name:

    3,5-Dimethylbenzenethiol

  • Synonyms:

    Benzenethiol,3,5-dimethyl-;3,5-Xylenethiol;3,5-Dimethylbenzenethiol;3,5-Dimethylthiophenol;3,5-Dimethylbenzene-1-thiol

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

3,5-Dimethylbenzenethiol Basic Attributes

138.23

138.23

253-901-8

U18S77737Q

DTXSID3068093

2930909090

Characteristics

38.80000

2.59210

clear yellow liquid

1.015 g/mL at 25 °C (lit.)

-30°C (estimate)

127.5 °C @ Press: 50 Torr

85ºC

n20/D 1.568(lit.)

6.82±0.11

Safety Information

III

6.1

2810

2

36/37/38-22-20/21/22

26-36-36/37-36/37/39-23

Xi,Xn

P261; P305 + P351 + P338

H302; H315; H319; H335

|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H318 (97.44%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, P391, 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.

3,5-Dimethylbenzenethiol Use and Manufacturing

Benzenethiol, 3,5-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:138.23
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:138.05032149
Monoisotopic Mass:138.05032149
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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