Cas no 26445-03-4 (Benzenethiol, methyl-)
Benzenethiol, methyl- structure
Product Name:Benzenethiol, methyl-
CAS No:26445-03-4
MF:C7H8S
MW:124.203420639038
CID:261586
Update Time:2024-01-27
Benzenethiol, methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, methyl-
- Methylbenzenethiol
- ar-Toluenethiol(8CI)
- Methylthiophenol
- Thiocresol
- Toluenethiol
- Tolylmercaptan
-
- Inchi： 1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
- InChI Key： WLHCBQAPPJAULW-UHFFFAOYSA-N
- SMILES： SC1=CC=C(C)C=C1
Computed Properties
- Exact Mass: 124.03474
- Monoisotopic Mass: 124.034671
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 62.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 1
Experimental Properties
- Melting Point: 43-44 deg C
- Boiling Point: 195 deg C @ 760 mm Hg
- PSA: 0
Benzenethiol, methyl- Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
26445-03-4 (Benzenethiol, methyl-) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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