Cas no 21119-13-1 (ch3c(=s)och3)
ch3c(=s)och3 structure
Product Name:ch3c(=s)och3
CAS No:21119-13-1
MF:C3H6OS
MW:90.1441397666931
CID:866071
Update Time:2025-04-19
ch3c(=s)och3 Chemical and Physical Properties
Names and Identifiers
-
- O-methyl ethanethioate
- ch3c(=s)och3
-
- Inchi： 1S/C3H6OS/c1-3(5)4-2/h1-2H3
- InChI Key： DTOZRCOCJVVION-UHFFFAOYSA-N
- SMILES： COC(=S)C
Computed Properties
- Exact Mass: 90.01398
- Monoisotopic Mass: 90.013936
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 42.2
- 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
- Topological Polar Surface Area: 41.3
Experimental Properties
- Density: 1.008
- Boiling Point: 65.9°C at 760 mmHg
- Refractive Index: 1.47
- PSA: 9.23
ch3c(=s)och3 Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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