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Tetrathianaphthacene

HCID 136017
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
193-44-2
Standard SMILES
c1ccc2c3c4c(c5ccccc5c5c4c(c2c1)SS5)SS3
InChIKey
JIIYLLUYRFRKMG-UHFFFAOYSA-N
Molecular formula
C18H8S4
Average molar mass
352.5 g/mol
Monoisotopic mass
351.95088495

Names & identifiers

Preferred name
Tetrathianaphthacene
IUPAC
9,10,19,20-tetrathiahexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene
English name
5,6,11,12-Tetrathiotetracene
Molecular formula
C18H8S4
Molecular weight
352.52

Names & synonyms

Tetrathianaphthacene193-44-2DTXSID20172899RefChem:384299DTXCID40953905,6,11,12-TETRATHIOTETRACENE9,10,19,20-tetrathiahexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaeneSCHEMBL11910068SCHEMBL29416657AKOS024350562LS-14617ST50974948
Show more names
TetratiotetraceneTetrathiatetracene5,6:11,12-Bisdithionaphthacene5,6:11,12-Diepidithionaphthacene5,6:11,12-BisepidithionaphthaceneNaphthaceno[5,6-cd:11,12-c'd']bis[1,2]dithiole
Tetraceno[11,12-cd:5,6-c'd']bis[1,2]dithiole

Database identifiers

CAS
193-44-2
PubChem CID
136017
DTXSID
DTXSID20172899
EC Number
845-645-6
Nikkaji
J405.430J

Properties

Computed structural properties

XLogP
6
Topological polar surface area
101 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
22
Formal charge
0
Complexity
386

Physicochemical properties

Symbol(GHS)
8 · GHS08,GHS07
Signal word
Warning
Hazard statements
312 · H312-H351-H315-H319-H335-H332-H302
Precautionary statements
201 · P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS08,GHS07
Hazard statements
H312-H351-H315-H319-H335-H332-H302
Precautionary statements
P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312

Chemistry & industry

Upstream & downstream products

Upstream raw materials

NAPHTHACENE

Suppliers2 total

Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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