AG00BXAT

389-58-2 | 3,4-Dithia-7H-cyclopenta[a]pentalene

AG00BXAT

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CAS Number	389-58-2
Catalog Number	AG00BXAT(AGN-PC-0069RX)
Chemical Name	3,4-Dithia-7H-cyclopenta[a]pentalene
IUPAC Name	3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
InChI	InChI=1S/C9H6S2/c1-3-10-8-6(1)5-7-2-4-11-9(7)8/h1-4H,5H2
InChI Key	UITASDKJJNYORO-UHFFFAOYSA-N
MDL Number	MFCD20133900
Molecular Formula	C9H6S2
Molecular Weight	178.2739
SMILES	C1C2=C(SC=C2)C2=C1C=CS2
Synonyms	389-58-2, 4H-Cyclopenta[1,2-b:5,4-b']dithiophene, 4H-Cyclopenta[2,1-b:3,4-b']dithiophene, 3,4-Dithia-7H-cyclopenta[a]pentalene, 4H-Cyclopenta(2,1-b:3,4-b')dithiophene, AK-76637, 4H-Cyclopenta[2,1-b;3,4-b']dithiophene, 4H-cyclopenta[1,2-b:5,4-b']bisthiophene, W-202615, 4H-Cyclopenta[2,1-b:3,4-b inverted exclamation mark ]dithiophene, p-Cyclopentadithiophene, SCHEMBL50205, AC1L381O, C9H6S2, CTK1C6054, DTXSID90192145, UITASDKJJNYORO-UHFFFAOYSA-N, 3,3'-Methano-2,2'-bithiophene, KS-00000P8Y, ZINC6119206, ANW-58702, MFCD20133900, AKOS016002033, AN-3420, CS-W004498, FCH1315314, 4H-Cyclopenta(2,1-b:3,4-b)dithiophene, 4H-Cyclopenta[2,1-b;3,4-b]dithiophene, 4H-Cyclopenta[2,1b;3,4-b']dithiophene, AJ-55881, AS-20107, SC-89989, SY025740, 7ah-cyclopenta[2,1-b;3,4-b']dithiophene, AX8219163, TX-017014, 4CH-023811, 4H-Cyclopenta[1,2-b:5,4-b\']dithiophene, 4H-Cyclopenta[2,1-b; 3,4-b']dithiophene, 4H-Cyclopenta[2,1-b;3,4-b'] dithiophene, Z5517, MFCD20133900 (95%), 4H -Cyclopenta[2,1-b :3,4-b' ]dithiophene, 389C582, 4H-Cyclopenta[2,1-b:3,4-b']dithiophene;3,4-b']dithiophene;4H-Cyclopenta[2,1-b;DTCPP;4H-cyclopenta[1,2-b:5,4-b']bisthiophene, CID136232, ACN-026892, C3021, 4H-Cyclopenta[2,1,b-:3,4,b']dithiophene, 99% - 1G 1g,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.991g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.267g/mol
Monoisotopic Mass	177.991g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number