AG003KIL

6670-13-9 | 4,5-Diphenyl-2-mercaptooxazole

AG003KIL

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CAS Number	6670-13-9
Catalog Number	AG003KIL(AGN-PC-0JX230)
Chemical Name	4,5-Diphenyl-2-mercaptooxazole
EC Number	229-707-4
IUPAC Name	4,5-diphenyl-3H-1,3-oxazole-2-thione
InChI	InChI=1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChI Key	NYQSTRUSYDZNHC-UHFFFAOYSA-N
MDL Number	MFCD00022414
Molecular Formula	C15H11NOS
Molecular Weight	253.3189
SMILES	S=C1OC(C2=CC=CC=C2)=C(C3=CC=CC=C3)N1
Synonyms	6670-13-9, 4,5-Diphenyl-2-mercaptooxazole, 4,5-Diphenyloxazole-2(3H)-thione, 4,5-Diphenyl-2-oxazolethiol, 4,5-diphenyl-1,3-oxazole-2-thiol, 4,5-Diphenyl-1,3-oxazole-2(3H)-thione, 4,5-diphenyl-2,3-dihydro-1,3-oxazole-2-thione, 4,5-diphenyloxazole-2-thiol, diphenyl-1,3-oxazole-2-thiol, 4,5-Diphenyl-4-oxazoline-2-thione, NYQSTRUSYDZNHC-UHFFFAOYSA-N, 4,5-Diphenyl-3H-oxazole-2-thione, MFCD00173660, 2(3H)-Oxazolethione,4,5-diphenyl-, 4,5-diphenyl-3H-1,3-oxazole-2-thione, EINECS 229-707-4, 2(3H)-Oxazolethione, 4,5-diphenyl-, 4-Oxazoline-2-thione, 4,5-diphenyl-, ACMC-209nwa, AC1LGXZ3, Maybridge4_003854, SCHEMBL2744315, CTK5C5069, 2-mercapto-4,5-diphenyl-oxazole, DTXSID90216850, HMS1531P04, ZINC395499, 4,5-diphenyl-4-oxazolin-2-thione, ALBB-008759, ANW-35240, BBL019193, CCG-46801, SBB007600, STK505552, STL199317, 4,5-Diphenyl-2-oxazolethiol, 98%, AKOS001309882, AKOS003275008, MCULE-6014066638, 2-Mercapto-4,5-diphenyloxazole, 98%, KS-0000053A, AK170427, AS-52597, ST059442, ZB012512, DB-054954, TC-123985, TR-022532, CS-0051108, D2511, FT-0617213, R1443, T8091, 4,5-Diphenyl-1,3-oxazole-2(3H)-thione #, I09-2502, SR-01000636474-1, BRD-K45446458-001-01-2, F1967-1005, Z220533748, InChI=1/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18, C15-H11-N-O-S, CID853676, ZINC00395499,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.056g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.319g/mol
Monoisotopic Mass	253.056g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302+H312+H332-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code	UN 3335

Certificate of Analysis

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