Cas no 67038-54-4 (Carbonodithioic acid, O-ethyl S-(1-methylethyl) ester)
67038-54-4 structure
Product Name:Carbonodithioic acid, O-ethyl S-(1-methylethyl) ester
CAS No:67038-54-4
MF:C6H12OS2
MW:164.288879394531
CID:527993
PubChem ID:234031
Update Time:2025-04-19
Carbonodithioic acid, O-ethyl S-(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonodithioic acid, O-ethyl S-(1-methylethyl) ester
- O-ethyl propan-2-ylsulfanylmethanethioate
- AC1L5RCA
- AC1Q7ENN
- Aethylxanthogensaeure-isopropylester
- AG-K-71103
- AR-1K9134
- CTK2F8697
- NSC33223
- o-ethyl s-propan-2-yl carbonodithioate
- O-Ethyl-S-n-isopropyldithiocarbonat
- SCHEMBL264829
- DTXSID20283752
- n-isopropyl xanthate
- NSC-33223
- 67038-54-4
-
- Inchi： 1S/C6H12OS2/c1-4-7-6(8)9-5(2)3/h5H,4H2,1-3H3
- InChI Key： DFAKZVAFGBPHGX-UHFFFAOYSA-N
- SMILES： S(C(OCC)=S)C(C)C
Computed Properties
- Exact Mass: 164.03306
- Monoisotopic Mass: 164.03295735g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 91.1
- 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: 2.8
- Topological Polar Surface Area: 66.6?2
Experimental Properties
- PSA: 9.23
Carbonodithioic acid, O-ethyl S-(1-methylethyl) ester Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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