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1,4-Benzenedimethanethiol

1,4-Benzenedimethanethiol structure

CAS No:
105-09-9
Formula:
C8H10S2
Chemical Name:
1,4-Benzenedimethanethiol
Synonyms:
1,4-Benzenedimethanethiol;p-Xylene-α,α′-dithiol;1,4-Bis(mercaptomethyl)benzene;p-Xylylenedithiol;α,α′-p-Xylenedithiol;1,4-Benzenebis(methanethiol);α,α′-Dimercapto-p-xylene;1,4-Xylylenedithiol;NSC 72094;[4-(Sulfanylmethyl)phenyl]methanethiol;PXDT
Categories:
Organic Chemistry > Heterocyclic Ring

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1,4-Benzenedimethanethiol Basic Attributes

Molecular Weight：

170.29

Exact Mass：

170.29

EC Number：

203-269-4

UNII：

K48UBZ9IMD

NSC Number：

72094

DSSTox ID：

DTXSID1059313

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.26

Density：

1.1604 (rough estimate)

Melting Point：

46-47 °C

Boiling Point：

156 °C12 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.6210 (estimate)

Safety Information

Transport codes：

UN 3335

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,3-benzenedimethanethiol

1,4-Benzenedimethanethiol Use and Manufacturing

Manufacturing Info：

1,4-Benzenedimethanethiol: INACTIVE

Computed Properties

Molecular Weight:170.3
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:170.02239267
Monoisotopic Mass:170.02239267
Topological Polar Surface Area:2
Heavy Atom Count:10
Complexity:73.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,4-BENZENEDIMETHANETHIOL

CAS No.: 105-09-9

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Guide of 1,4-Benzenedimethanethiol

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1,4-Benzenedimethanethiol

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