AG006BSG

957060-76-3 | 2-(4-Boronobenzoyl)hydrazinecarbothioamide

AG006BSG

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CAS Number	957060-76-3
Catalog Number	AG006BSG(AGN-PC-0W5CBA)
Chemical Name	2-(4-Boronobenzoyl)hydrazinecarbothioamide
IUPAC Name	[4-[(carbamothioylamino)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C8H10BN3O3S/c10-8(16)12-11-7(13)5-1-3-6(4-2-5)9(14)15/h1-4,14-15H,(H,11,13)(H3,10,12,16)
InChI Key	NVXNXTLWXKMYHB-UHFFFAOYSA-N
MDL Number	MFCD09027244
Molecular Formula	C8H10BN3O3S
Molecular Weight	239.0593
SMILES	O=C(C1=CC=C(B(O)O)C=C1)NNC(N)=S
Synonyms	957060-76-3, 2-(4-Boronobenzoyl)hydrazinecarbothioamide, 4-(2-carbamothioylhydrazinecarbonyl)phenylboronic acid, MFCD09027244, 4-[(2-Carbamothioylhydrazino)carbonyl]benzeneboronic acid, [4-[(carbamothioylamino)carbamoyl]phenyl]boronic acid, {4-[(carbamothioylamino)carbamoyl]phenyl}boronic acid, (4-(2-Carbamothioylhydrazinecarbonyl)phenyl)boronic acid, [4-(2-Carbamothioylhydrazinecarbonyl)phenyl]boronic acid, C8H10BN3O3S, ACMC-209s12, SCHEMBL2555872, CTK5H7994, DTXSID20657075, ZX-AT018710, AHT101333, ANW-40596, OR3263, AKOS015833707, ZINC169745105, RTR-029881, BC001904, SC-53263, AB0043267, TR-029881, FT-0687800, Z1172, A-3880, 4-(2-Carbamothioylhydrazinecarbonyl)phenylboronic, 4-(carbamothioylaminocarbamoyl)phenylboronic acid, I01-16256, 4- phenylboronicacid, ACN-042612, 4-(2-Carbamothioylhydrazinecarbonyl)benzeneboronic acid,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.054g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	239.056g/mol
Monoisotopic Mass	239.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P304+P340-P305+P351+P338-P405-P501a-P261-P280a
UN Code

Certificate of Analysis

Lot Number