AG003US2

31486-86-9 | THIENO[3,2-B]THIOPHENE-2-CARBALDEHYDE

AG003US2

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CAS Number	31486-86-9
Catalog Number	AG003US2(AGN-PC-0JVOQ7)
Chemical Name	THIENO[3,2-B]THIOPHENE-2-CARBALDEHYDE
IUPAC Name	thieno[3,2-b]thiophene-5-carbaldehyde
InChI	InChI=1S/C7H4OS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-4H
InChI Key	JKVPCDAKZCFJBU-UHFFFAOYSA-N
MDL Number	MFCD01859924
Molecular Formula	C7H4OS2
Molecular Weight	168.2361
SMILES	O=CC1=CC2=C(C=CS2)S1
Synonyms	Thieno[3,2-b]thiophene-2-carbaldehyde, 31486-86-9, Thieno[3,2-b]thiophene-2-carboxaldehyde, thieno[3,2-b]thiophene-5-carbaldehyde, AC1LEJU4, Thieno[3,2-b!thiophene-2-carbaldehyde,97+%, AMTGC027, SCHEMBL2591962, 2-Formylthieno[3,2-b]thiophene, CTK1C1445, DTXSID50353199, JKVPCDAKZCFJBU-UHFFFAOYSA-N, ZINC165271, MFCD01859924, SBB088199, AKOS016010176, AS-2014, TRA0026099, KS-0000226R, Thieno[3,2,-b]thiophene-2-carbaldehyde, Thieno[3,2-b ]thiophene-2-carbaldehyde, AJ-16373, AK115582, thiopheno[3,2-b]thiophene-2-carbaldehyde, DB-083418, TX-013513, FT-0718802, THIENO[3,2-B!THIOPHENE-2-CARBALDEHYDE, 97+%, Thieno[3,2-b]thiophene-2-carboxaldehyde, 98% (HPLC), C7H4OS2, CID737206, ZINC00165271,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.97g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.228g/mol
Monoisotopic Mass	167.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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