AG003DMB

105-09-9 | [4-(sulfanylmethyl)phenyl]methanethiol

AG003DMB

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CAS Number	105-09-9
Catalog Number	AG003DMB(AGN-PC-0JL6Y7)
Chemical Name	[4-(sulfanylmethyl)phenyl]methanethiol
EC Number	203-269-4
IUPAC Name	[4-(sulfanylmethyl)phenyl]methanethiol
InChI	InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
InChI Key	IYPNRTQAOXLCQW-UHFFFAOYSA-N
MDL Number	MFCD00004872
Molecular Formula	C8H10S2
Molecular Weight	170.2950
NSC Number	72094
SMILES	C(S)c1ccc(cc1)CS
UNII	K48UBZ9IMD
Synonyms	1,3-benzenedimethanethiol, 1,4-benzenedimethanethiol, 1,4-Benzenedimethanethiol, 105-09-9, p-Xylylenedithiol, 1,4-Bis(mercaptomethyl)benzene, 1,4-Benzene dimethanethiol, 1,4-Benzenebis(methanethiol), .alpha.,.alpha.'-p-Xylenedithiol, UNII-K48UBZ9IMD, K48UBZ9IMD, [4-(sulfanylmethyl)phenyl]methanethiol, IYPNRTQAOXLCQW-UHFFFAOYSA-N, p-Xylene-.alpha.,.alpha.'-dithiol, J-503964, alpha,alpha'-p-Xylenedithiol, p-Xylene-alpha,alpha'-dithiol, EINECS 203-269-4, NSC 72094, PubChem6840, ACMC-2098es, 1,4-phenylenedimethanethiol, AC1L24HW, NCIOpen2_000587, KSC175G3H, SCHEMBL127369, Jsp000490, DTXSID1059313, 1,4-bis(mercaptomethyl)-benzene, alpha,alpha'-Dimercapto-p-xylene, CTK0H5333, 1,4-bis-(Mercaptomethyl)benzene, 1,4-Benzenedimethanethiol, 98%, ZINC388282, KS-00000YS3, NSC72094, ANW-15170, MFCD00004872, NSC-72094, [4-(mercaptomethyl)phenyl]methanethiol, AKOS015897641, FCH1112426, MCULE-9201172948, RP23275, TRA0005424, 4-(Sulfanylmethyl)benzyl hydrosulfide #, AC-16428, AN-25597, CJ-03185, U077, ZB011402, RT-001457, TL8006760, FT-0606761, 10.14272/IYPNRTQAOXLCQW-UHFFFAOYSA-N, 105B099, A801150, C-05302, doi:10.14272/IYPNRTQAOXLCQW-UHFFFAOYSA-N, I09-0893, p-xylen-alpha-alpha'-dithiol, C8H10S2, CID66043, C8-H10-S2, B1521,

Complexity	73.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.022g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	170.288g/mol
Monoisotopic Mass	170.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code	UN 3335

Certificate of Analysis

Lot Number