AG003JCE

Name: 3-Cyanophenyl isothiocyanate
Brand: Angene Chemical
SKU: AG003JCE

3125-78-8 | 3-Cyanophenyl isothiocyanate

AG003JCE

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CAS Number	3125-78-8
Catalog Number	AG003JCE(AGN-PC-0JLQ4H)
Chemical Name	3-Cyanophenyl isothiocyanate
IUPAC Name	3-isothiocyanatobenzonitrile
InChI	InChI=1S/C8H4N2S/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
InChI Key	UXCYPHCFQAFVFH-UHFFFAOYSA-N
MDL Number	MFCD00041070
Molecular Formula	C8H4N2S
Molecular Weight	160.1958
SMILES	N(=C=S)C=1C=C(C#N)C=CC1
Synonyms	3-Cyanophenyl isothiocyanate, 3125-78-8, Benzonitrile, 3-isothiocyanato-, 3-isothiocyanatobenzonitrile, m-Cyanophenyl isothiocyanate, MFCD00041070, 3-CYANOPHENylisoTHIOCYANATE, AC1Q4RGH, AC1Q7EXT, ACMC-1BN6O, AC1L2R7M, SCHEMBL843325, Benzonitrile,3-isothiocyanato-, CTK4G6663, DTXSID50185179, 3-isothiocyanatobenzenecarbonitrile, UXCYPHCFQAFVFH-UHFFFAOYSA-N, 3-Cyanophenyl isothiocyanate, 98%, ZINC2390086, 9874AD, AKOS000212350, MCULE-7130465450, BP-11157, TR-033186, FT-0615934, ST50824779, J-018303, I01-18772, C8H4N2S, C8-H4-N2-S, CID76578, AR-1J3905, 3-Cyanophenyl isothiocyanate, 97% - 1G 1g, 32586-97-3,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.01g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.194g/mol
Monoisotopic Mass	160.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited