AG0073QJ

40985-58-8 | Thieno[3,2-b]thiophene-2-carbonitrile

AG0073QJ

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CAS Number	40985-58-8
Catalog Number	AG0073QJ(AGN-PC-0ALIM7)
Chemical Name	Thieno[3,2-b]thiophene-2-carbonitrile
IUPAC Name	thieno[3,2-b]thiophene-5-carbonitrile
InChI	InChI=1S/C7H3NS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-3H
InChI Key	UPRBPGCXCNBTQH-UHFFFAOYSA-N
MDL Number	MFCD08059461
Molecular Formula	C7H3NS2
Molecular Weight	165.2354
SMILES	N#CC1=CC2=C(S1)C=CS2
Synonyms	Thieno[3,2-b]thiophene-2-carbonitrile, 40985-58-8, C7H3NS2, SCHEMBL120632, 2-Cyanothieno[3,2-b]thiophene, CTK8C2818, DTXSID80716950, KS-00000P3H, 5601AB, ANW-69049, MFCD08059461, ZINC82703591, AKOS006284960, CS-W004530, thieno[3,2-b]thiophene-5-carbonitrile, Thieno[3,2-b ]thiophene-2-carbonitrile, AK-51409, DS-15826, AJ-125529, TC-157794, T3221, Thieno[3,2 - b]thiophene - 2 - carbonitrile,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.971g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.228g/mol
Monoisotopic Mass	164.971g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	80.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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