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Thianthrene

Thianthrene structure

CAS No:
92-85-3
Formula:
C12H8S2
Chemical Name:
Thianthrene
Synonyms:
Thianthrene;Thianthren;Dibenzodithiodioxane;NSC 439
Categories:
Chemical Reagents > Organic Reagents

Description

White to off-white solid

Thianthrene is the organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin. It is a mancude organic heterotricyclic parent, an organosulfur heterocyclic compound and a member of thianthrenes.

Thianthrene Basic Attributes

Molecular Weight：

216.32

Exact Mass：

216.32

EC Number：

202-197-0

UNII：

4139V9M46H

NSC Number：

439

DSSTox ID：

DTXSID6059071

HScode：

29349990

Characteristics

PSA：

50.6

XLogP3：

4.6

Density：

1.43 g/cm³

Melting Point：

159.3 °C

Boiling Point：

365 °C

Flash Point：

170.8±16.6 °C

Refractive Index：

1.725

Water Solubility：

DMF: soluble

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

thianthrene

Thianthrene Use and Manufacturing

Manufacturing Info：

Thianthrene: ACTIVE

Computed Properties

Molecular Weight:216.3
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Exact Mass:216.00674260
Monoisotopic Mass:216.00674260
Topological Polar Surface Area:50.6
Heavy Atom Count:14
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Thianthrene

CAS No.: 92-85-3

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