Cas no 1442-02-0 (Benzoic acid,3-(methylthio)-, ethyl ester)
1442-02-0 structure
Product Name:Benzoic acid,3-(methylthio)-, ethyl ester
CAS No:1442-02-0
MF:C10H12O2S
MW:196.266081809998
CID:178925
PubChem ID:245820
Update Time:2025-04-19
Benzoic acid,3-(methylthio)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-(methylthio)-, ethyl ester
- ethyl 3-methylsulfanylbenzoate
- 3-Methylmercapto-benzoesaeure-aethylester
- 3-methylsulfanyl-benzoic acid ethyl ester
- AC1L6GQB
- AC1Q64H5
- AR-1I8673
- CTK4C3985
- ethyl 3-(methylsulfanyl)benzoate
- ethyl 3-methylthiobenzoate
- m-Methyl-mercapto-benzoesaeure-aethylester
- NSC58103
- AKOS006316516
- 3-METHYLSULFANYLBENZOIC ACID ETHYL ESTER
- Benzoic acid, 3-(methylthio)-, ethyl ester
- DXATWXQPWLCGPA-UHFFFAOYSA-N
- 1442-02-0
- DTXSID70288919
- NSC-58103
-
- Inchi： 1S/C10H12O2S/c1-3-12-10(11)8-5-4-6-9(7-8)13-2/h4-7H,3H2,1-2H3
- InChI Key： DXATWXQPWLCGPA-UHFFFAOYSA-N
- SMILES： S(C)C1=CC=CC(C(=O)OCC)=C1
Computed Properties
- Exact Mass: 196.05586
- Monoisotopic Mass: 196.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 3
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- Density: 1.13
- Boiling Point: 290.8°Cat760mmHg
- Flash Point: 132.6°C
- Refractive Index: 1.55
- PSA: 26.3
Benzoic acid,3-(methylthio)-, ethyl ester Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
1442-02-0 (Benzoic acid,3-(methylthio)-, ethyl ester) Related Products
- 90721-40-7(Methyl 3-(Methylthio)benzoate)
- 3795-79-7(Methyl 4-(methylthio)benzoate)
- 10129-07-4(Benzoic acid,4-(phenylthio)-, ethyl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
