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CAS 2314-48-9

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CHEMISTRY

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Chemistry

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Also known as: 2314-48-9, Carbonotrithioic acid, dimethyl ester, Trithiocarbonic acid dimethyl ester, Dimethyl carbonotrithioate, Carbonic acid, trithio-, dimethyl ester, Dimethylester kyseliny trithiouhlicite

Molecular Formula

C₃H₆S₃

Molecular Weight

138.3 g/mol

InChI Key

IQWMXKTYXNMSLC-UHFFFAOYSA-N

CAS 2314-48-9

1 2D Structure

CAS 2314-48-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bis(methylsulfanyl)methanethione

2.1.2 InChI

InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3

2.1.3 InChI Key

IQWMXKTYXNMSLC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CSC(=S)SC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2314-48-9

2. Carbonotrithioic Acid, Dimethyl Ester

3. Trithiocarbonic Acid Dimethyl Ester

4. Dimethyl Carbonotrithioate

5. Carbonic Acid, Trithio-, Dimethyl Ester

6. Dimethylester Kyseliny Trithiouhlicite

7. Bis(methylsulfanyl)methanethione

8. Brn 1421113

9. Dimethylester Kyseliny Trithiouhlicite [czech]

10. Starbld0016586

11. (ch3s)2cs

12. Schembl256003

13. Dimethyl Trithiocarbonate, 98%

14. Bis(methylsulfanyl)-methanethione

15. Dtxsid90177710

16. Zinc2038699

17. Akos015898867

18. Db-046087

19. Ft-0601908

20. J-015005

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃H₆S₃
Molecular Weight	138.3 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	137.96316371 g/mol
Monoisotopic Mass	137.96316371 g/mol
Topological Polar Surface Area	82.7 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	44
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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