AG00BCLS

27249-90-7 | Benzyl dithiobenzoate

AG00BCLS

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CAS Number	27249-90-7
Catalog Number	AG00BCLS(AGN-PC-009J7L)
Chemical Name	Benzyl dithiobenzoate
IUPAC Name	benzyl benzenecarbodithioate
InChI	InChI=1S/C14H12S2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChI Key	ZCKPFAYILJKXAT-UHFFFAOYSA-N
MDL Number	MFCD08705657
Molecular Formula	C14H12S2
Molecular Weight	244.3751
SMILES	S=C(SCC1=CC=CC=C1)C2=CC=CC=C2
Synonyms	Benzyl dithiobenzoate, Benzyl benzodithioate, 27249-90-7, BDTB, Benzenecarbodithioicacid, phenylmethyl ester, benzylbenzodithioate, Benzyl benzodithioate, 96%, SCHEMBL36459, CTK4F9345, DTXSID30466574, ZCKPFAYILJKXAT-UHFFFAOYSA-N, BENZYL BENZENECARBODITHIOATE, AB2646, MFCD08705657, ZINC14982186, AKOS027327809, ACM27249907, DB-081689, FT-0718658, Benzylsulfanyl-phenyl-methanethione, CID11459208,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.038g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.37g/mol
Monoisotopic Mass	244.038g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H317-H410
Precuationary statements	P273-P280-P501
Siginal words

Certificate of Analysis

Lot Number