3,5-Dimethylbenzenethiol
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3,5-Dimethylbenzenethiol
structure -
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CAS No:
38360-81-5
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Formula:
C8H10S
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Chemical Name:
3,5-Dimethylbenzenethiol
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Synonyms:
Benzenethiol,3,5-dimethyl-;3,5-Xylenethiol;3,5-Dimethylbenzenethiol;3,5-Dimethylthiophenol;3,5-Dimethylbenzene-1-thiol
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CAS No:
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.
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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