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4-Isopropylthioxanthone

4-Isopropylthioxanthone structure

CAS No:
83846-86-0
Formula:
C16H14OS
Chemical Name:
4-Isopropylthioxanthone
Synonyms:
9H-Thioxanthen-9-one,4-(1-methylethyl)-;4-(1-Methylethyl)-9H-thioxanthen-9-one;4-Isopropylthioxanthone;4-Isopropyl-9-thioxanthone;4-Isopropyl-9H-thioxanthen-9-one
Categories:
Analytical Chemistry > Standard

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4-Isopropylthioxanthone Basic Attributes

Molecular Weight：

254.35

Exact Mass：

254.35

EC Number：

281-065-4

Characteristics

PSA：

42.4

XLogP3：

5.33

Density：

1.2±0.1 g/cm3

Boiling Point：

391.0±32.0 °C at 760 mmHg

Flash Point：

210.2±10.8 °C

Refractive Index：

1.638

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P273, P301+P312, P330, P501

Hazard Statements：

H302-H413

GHS Classification：

|Warning|H302 (59.3%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 180 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

isopropyl thioxanthone

4-Isopropylthioxanthone Use and Manufacturing

Manufacturing Info：

9H-Thioxanthen-9-one, 4-(1-methylethyl)-: ACTIVE

Computed Properties

Molecular Weight:254.3
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:254.07653624
Monoisotopic Mass:254.07653624
Topological Polar Surface Area:42.4
Heavy Atom Count:18
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes