AG003FZP

4001-61-0 | 2,5-Dimethylbenzenethiol

AG003FZP

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CAS Number	4001-61-0
Catalog Number	AG003FZP(AGN-PC-0JLQTI)
Chemical Name	2,5-Dimethylbenzenethiol
EC Number	223-649-3
IUPAC Name	2,5-dimethylbenzenethiol
InChI	InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChI Key	NHAUBUMQRJWWAT-UHFFFAOYSA-N
MDL Number	MFCD00010020
Molecular Formula	C8H10S
Molecular Weight	138.2300
SMILES	SC1=CC(C)=CC=C1C
Synonyms	2,5-Dimethylthiophenol, 4001-61-0, 2,5-Dimethylbenzenethiol, 2,5-Dimethyl thiophenol, Benzenethiol, 2,5-dimethyl-, 2,5-dimethylbenzene-1-thiol, MFCD00010020, NHAUBUMQRJWWAT-UHFFFAOYSA-N, 2,5-Dimethylthiophenol;2,5-Dimethylthiophenol;, EINECS 223-649-3, p-Xylenethiol, 2-Mercapto-p-xylene, 2,5dimethylthiophenol, PubChem6811, 2,5-dimethyl-thiophenol, AC1L2TFV, AC1Q2JCX, 2,5-Dimethyl-benzolthiol, 2,5-dimethyl-benzenethiol, ACMC-209j9w, AC1Q7GN3, 2,5-Dimethylbenzenethiol #, 2,5-Dimethylthiophenol 98%, SCHEMBL394229, 2,5-DIMETHYLTHIOPHENONE, Jsp006927, CHEMBL1433856, DTXSID3063259, 2,5-Dimethylbenzenethiol, 97%, CTK1D6549, UKRORGSYN-BB BBR-008327, ANW-29250, ZINC19230164, AKOS000120704, AS00079, PS-5796, RP20479, RTR-015959, TRA0035638, VZ22821, KS-000015T3, NCGC00189400-01, AC-10704, L103, SC-46202, DB-020134, TL8006746, TR-015959, D2393, FT-0610458, EN300-20977, 2,5-Dimethylbenzenethiol, 90%, technical grade, W-106394, UNII-FF8DL45MWR component NHAUBUMQRJWWAT-UHFFFAOYSA-N, 2,5-Xylenethiol, C8H10S, C8-H10-S, CID77615, AR-1D4493, 2,5-Dimethylthiophenol, 99% - 100G 100g, Y-9213, 42204-36-4,

Complexity	90.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.05g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	138.228g/mol
Monoisotopic Mass	138.05g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H331-H227-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P260-P280h-P309-P310-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
UN Code	\N

Certificate of Analysis

Lot Number