Cas no 816435-31-1 (Benzamide,N-[(ethylamino)thioxomethyl]-3-methyl-)
![Benzamide,N-[(ethylamino)thioxomethyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/816500/816435-31-1x500.png)
816435-31-1 structure
Product Name:Benzamide,N-[(ethylamino)thioxomethyl]-3-methyl-
CAS No:816435-31-1
MF:C11H14N2OS
MW:222.306661128998
CID:715490
PubChem ID:4947765
Update Time:2025-04-19
Benzamide,N-[(ethylamino)thioxomethyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-[(ethylamino)thioxomethyl]-3-methyl-
- Benzamide, N-[(ethylamino)thioxomethyl]-3-methyl- (9CI)
- N-(Ethylcarbamothioyl)-3-methylbenzamide
- 816435-31-1
- DTXSID30406874
- AKOS003454629
-
- Inchi： 1S/C11H14N2OS/c1-3-12-11(15)13-10(14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
- InChI Key： ZLHVDUKFPGJAHP-UHFFFAOYSA-N
- SMILES： S=C(NCC)NC(C1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 222.08268425g/mol
- Monoisotopic Mass: 222.08268425g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 243
- 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: 2.7
- Topological Polar Surface Area: 73.2?2
Benzamide,N-[(ethylamino)thioxomethyl]-3-methyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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