AG0007SS

1025746-82-0 | 3-(Cyclopropylmethyl)Thiophenylboronic Acid

AG0007SS

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CAS Number	1025746-82-0
Catalog Number	AG0007SS(AGN-PC-0WA7KX)
Chemical Name	3-(Cyclopropylmethyl)Thiophenylboronic Acid
IUPAC Name	[3-(cyclopropylmethylsulfanyl)phenyl]boronic acid
InChI	InChI=1S/C10H13BO2S/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8,12-13H,4-5,7H2
InChI Key	MKUPUWRGZDJOQK-UHFFFAOYSA-N
MDL Number	MFCD09025757
Molecular Formula	C10H13BO2S
Molecular Weight	208.0850
SMILES	OB(C1=CC=CC(SCC2CC2)=C1)O
Synonyms	1025746-82-0, (3-((Cyclopropylmethyl)thio)phenyl)boronic acid, SCHEMBL12538455, MFCD09025757, AKOS015949597, ZINC169794550, C2566G1, RP07244, OR360165, AX8025429, TC-068644, FT-0685369, Y6839, A-4202, 3-[(cyclopropylmethyl)sulfanyl]phenylboronic acid, J-510860, Boronic acid, B-[3-[(cyclopropylmethyl)thio]phenyl]-, 3-(cyclopropylmethyl)thiophenylboronic acid, AldrichCPR, 3-(Cyclopropylmethyl)thiophenylboronic acid, 2-methoxyethane-1-sulfonamide, C10H13BO2S,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.073g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.082g/mol
Monoisotopic Mass	208.073g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	65.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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