Cas no 133217-37-5 (Carbonothioic acid, O-(chloromethyl) S-ethyl ester)
133217-37-5 structure
Product Name:Carbonothioic acid, O-(chloromethyl) S-ethyl ester
CAS No:133217-37-5
MF:C4H7ClO2S
MW:154.615179300308
CID:3709581
PubChem ID:14800938
Update Time:2025-04-22
Carbonothioic acid, O-(chloromethyl) S-ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonothioic acid, O-(chloromethyl) S-ethyl ester
- Thiocarbonic Acid O-Chloromethyl Ester S-Ethyl Ester
- O-chloromethyl S-ethyl carbonothioate
- SCHEMBL394175
- MFCD19232215
- 133217-37-5
- JPCDQCQGUMTOBH-UHFFFAOYSA-N
- AKOS006388166
- SY345786
- O-(Chloromethyl) S-ethyl carbonothioate
-
- Inchi： 1S/C4H7ClO2S/c1-2-8-4(6)7-3-5/h2-3H2,1H3
- InChI Key： JPCDQCQGUMTOBH-UHFFFAOYSA-N
- SMILES： ClCOC(=O)SCC
Computed Properties
- Exact Mass: 153.9855283g/mol
- Monoisotopic Mass: 153.9855283g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 76.4
- 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: 2.1
- Topological Polar Surface Area: 51.6?2
Carbonothioic acid, O-(chloromethyl) S-ethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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