Cas no 52009-39-9 (Carbamic acid, [[(4-chlorophenyl)amino]thioxomethyl]-, methyl ester)
![Carbamic acid, [[(4-chlorophenyl)amino]thioxomethyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/52500/52009-39-9x500.png)
52009-39-9 structure
Product Name:Carbamic acid, [[(4-chlorophenyl)amino]thioxomethyl]-, methyl ester
CAS No:52009-39-9
MF:C9H9ClN2O2S
MW:244.697959661484
CID:360851
PubChem ID:71365850
Update Time:2025-04-19
Carbamic acid, [[(4-chlorophenyl)amino]thioxomethyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [[(4-chlorophenyl)amino]thioxomethyl]-, methyl ester
- methyl N-[(4-chlorophenyl)carbamothioyl]carbamate
- DTXSID70789234
- 52009-39-9
- Methyl [(4-chlorophenyl)carbamothioyl]carbamate
- AKOS040794772
-
- Inchi： 1S/C9H9ClN2O2S/c1-14-9(13)12-8(15)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H2,11,12,13,15)
- InChI Key： CINVNWHLLNFZMJ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)NC(NC(=O)OC)=S
Computed Properties
- Exact Mass: 244.00747
- Monoisotopic Mass: 244.0073264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 242
- 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: 82.4?2
Experimental Properties
- PSA: 50.36
Carbamic acid, [[(4-chlorophenyl)amino]thioxomethyl]-, methyl ester Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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