AG004Z7T

Name: 3-Boronobenzothioamide
Brand: Angene Chemical
SKU: AG004Z7T

850568-10-4 | 3-Boronobenzothioamide

AG004Z7T

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CAS Number	850568-10-4
Catalog Number	AG004Z7T(AGN-PC-0UX3KI)
Chemical Name	3-Boronobenzothioamide
IUPAC Name	(3-carbamothioylphenyl)boronic acid
InChI	InChI=1S/C7H8BNO2S/c9-7(12)5-2-1-3-6(4-5)8(10)11/h1-4,10-11H,(H2,9,12)
InChI Key	ZPKLUYJBCAHWIW-UHFFFAOYSA-N
MDL Number	MFCD06659873
Molecular Formula	C7H8BNO2S
Molecular Weight	181.0199
SMILES	OB(c1cccc(c1)C(=S)N)O
Synonyms	3-Boronobenzothioamide, 850568-10-4, (3-Carbamothioyl)benzeneboronic acid, 3-BORONOTHIOBENZAMIDE, (3-carbamothioylphenyl)boronic acid, MFCD06659873, ACMC-209q1a, C7H8BNO2S, 3-carbamothioylphenylboronic acid, SCHEMBL14121383, CTK5F3941, DTXSID30657041, 3-boronobenzothioamide, AldrichCPR, ZX-AT018092, ANW-38012, FCH919645, OR3935, AKOS006221156, ZINC169745397, AB26523, RTR-026475, TR-026475, FT-0687772, X2402, A-3879, Boronic acid,B-[3-(aminothioxomethyl)phenyl]-,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.037g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	181.016g/mol
Monoisotopic Mass	181.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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