AG003MB1

21871-47-6 | 5-[(Phenylmethyl)Thio]-1H-Tetrazole

AG003MB1

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CAS Number	21871-47-6
Catalog Number	AG003MB1(AGN-PC-0O7WR0)
Chemical Name	5-[(Phenylmethyl)Thio]-1H-Tetrazole
IUPAC Name	5-benzylsulfanyl-2H-tetrazole
InChI	InChI=1S/C8H8N4S/c1-2-4-7(5-3-1)6-13-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChI Key	GXGKKIPUFAHZIZ-UHFFFAOYSA-N
MDL Number	MFCD00068731
Molecular Formula	C8H8N4S
Molecular Weight	192.2409
NSC Number	282041
SMILES	C(Sc1[nH]nnn1)c1ccccc1
Synonyms	5-Benzylthio-1H-tetrazole, 21871-47-6, 5-(Benzylthio)-1H-tetrazole, 5-benzylsulfanyl-2H-tetrazole, 5-[(Phenylmethyl)Thio]-1H-Tetrazole, 5-benzylmercapto-1h-tetrazole, 1H-Tetrazole, 5-[(phenylmethyl)thio]-, J-670011, NSC282041, PubChem9170, 5-(Benzylthio)tetrazole, 5-benzyl-1H-thiotetrazole, ACMC-209fp0, BTT Activator, 0.3 M, SCHEMBL22170, KSC490O7L, AC1L882G, Jsp004444, 5-(benzylmercapto)-1h-tetrazole, CTK3J0775, KS-00000VVY, DTXSID60314332, GXGKKIPUFAHZIZ-UHFFFAOYSA-N, 5-(phenylmethylthio)-2H-tetrazole, 5-Benzylthio-1H-tetrazole (BTT), ACT01837, ZX-AT016306, ANW-24610, CB-838, MFCD00068731, OR4866, ZINC12402909, AKOS015888142, 2H-Tetrazole,5-[(phenylmethyl)thio]-, AC-8309, AN-8126, FCH1114623, NSC-282041, RP25185, RTR-010258, TRA0000312, VZ30067, AS-12388, CC-21224, SC-02507, AB0011845, 5-(benzylsulfanyl)-1H-1,2,3,4-tetrazole, 5-(benzylsulfanyl)-2H-1,2,3,4-tetrazole, B3020, FT-0638158, M-2371, 5-(phenylmethylsulfanyl)-2H-1,2,3,4-tetrazole, A815721, C-08412, 5-(Benzylthio)-1H-tetrazole, >=99.0% (HPLC), I01-0352, J-516761, J-801010, BTT Activator, 0.3M, configured for (??KTA(R) and OligoPilot(R)), 5-(Benzylthio)-1H-tetrazole solution, for DNA synthesis, 0.25 M in acetonitrile, 5-benzylsulfur-1H-tetrazole, 5-Benzylthio-1H- Tetrazole, 1-Bromo-3-methyl-2-butene, C8H8N4S, CID323185, ACN-047768, 5-Benzylthio-1H-tetrazole, 99% - 100G 100g, BMT,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.047g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.24g/mol
Monoisotopic Mass	192.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 1325

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