Encyclopedia
EN
ZH
EN
Sign in
|
Join Free
Category
Organic Intermediates
Pharmaceuticals and Biochemicals
Basic Organic Chemicals
Agrochemicals
Inorganic Chemicals
Catalyst and Auxiliary
Custom Manufacturing
Food & Feed Additives
Daily Chemicals
Dyestuffs and Pigments
Laboratory Chemicals
Adhesives and Sealants
Flavour & Fragrance
Paint and Coatings
Polymer
Metals and Minerals
Encyclopedia
Chemicals Encyclopedia
Cosmetic Ingredients
Dictionary
English
Deutsch
Français
Español
日本語
한국어
Supplier
Buyer Request
TradeShow
FAQs
Structure Search
About Us
Encyclopedia
2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin
CAS:
97307-49-8
MW:
294.5
MF:
C8H6S6
 
Email
 
Tweet
 
Share
Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2-(1,3-dithiol-2-ylidene)-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin
1.2 CAS No.
97307-49-8
1.3 CID
11822531
1.4 Molecular Formula
C8H6S6
1.5 Inchi
BESMENYYPMISDY-UHFFFAOYSA-N
1.6 InChkey
BESMENYYPMISDY-UHFFFAOYSA-N
1.7 Canonical Smiles
C1CSC2=C(SC(S2)=C2SC=CS2)S1
1.8 Isomers Smiles
C1CSC2=C(SC(S2)=C2SC=CS2)S1
2. Synthesis Route
97307-49-8
Total: 9 Synthesis Route
59089-89-3
14 Suppliers
97307-49-8
74962-29-1
12 Suppliers
97307-49-8
View all
3. Precursor and Product
precursor:
133165-45-4
74962-29-1
59089-89-3
106-93-4
122301-29-5
133186-66-0
186139-70-8
118148-21-3
930-35-8
31366-25-3
4. Computed Properties
Molecular Weight:
294.5g/mol
Molecular Formula:
C
8
H
6
S
6
Compound Is Canonicalized:
True
Exact Mass:
3.7
XLogP3-AA:
293.87937723
Monoisotopic Mass:
293.87937723
Complexity:
323
Rotatable Bond Count:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Topological Polar Surface Area:
152
Heavy Atom Count::
14
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADcYBwAABwAAAAAAAAAAAAAAAAAQIAAAAgAAAAAAAAAEgAAAAAGAQAAAAAAACEQACAAAAAAAiAAAACAAAAAQAAABAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
1,3-Dithiolo[4,5-b][1,4]dithiin-5,6-d2,2-(5,6-dihydro-5,6-d2-1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene-5,6-d2)-5,6-dihydro-5,6-d2-(9CI)
cas:101751-48-8
5-PROPYL-1,3-DITHIOLO[4,5-D][1,3]DITHIOLE-2-THIONE
cas:202126-48-5
5-HEXYL-1,3-DITHIOLO[4,5-D][1,3]DITHIOLE-2-THIONE
cas:202126-51-0
1,3-Dithiole-4-methanethiol, 2-(1,3-dithiol-2-ylidene)-
cas:218149-71-4
2,3-dihydro-[1,4]dithiine
cas:23230-01-5
1,3-Dithiole-4,5-dicarboxaldehyde, 2-(4,5-diformyl-1,3-dithiol-2-ylidene)-
cas:87258-18-2
1. Names and Identifiers
1.1 Name
1.2 CAS No.
1.3 Molecular Formula
1.4 Inchi
1.5 InChkey
1.6 Canonical Smiles
1.7 Isomers Smiles
2.
Synthesis Route
3.
Precursor and Product
4.
Computational chemical data
5.
Realated Product Infomation
Cancel
CAS
Products
Suppliers
Popular Searches
Request For Quotation