Cas no 19484-26-5 (1-Tridecanethiol)
1-Tridecanethiol structure
Product Name:1-Tridecanethiol
1-Tridecanethiol Chemical and Physical Properties
Names and Identifiers
-
- 1-Tridecanethiol
- N-TRIDECYL MERCAPTAN
- tridecane-1-thiol
- Tridecyl mercaptan
- 1-Mercaptotridecane
- NSC 851
- Tridecan-1-thiol
- Tridecyl thioalcohol
- TRIDECYL THIOL
- NSC851
- DTXSID8066501
- Q27294742
- UNII-YW32XX0340
- YW32XX0340
- NSC-851
- IPBROXKVGHZHJV-UHFFFAOYSA-N
- 1-TRIDECANTHIOL
- 19484-26-5
- Tridecanethiol
- EINECS 243-104-3
- SCHEMBL132802
- NS00026354
- FT-0700108
-
- Inchi： 1S/C13H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
- InChI Key： IPBROXKVGHZHJV-UHFFFAOYSA-N
- SMILES： SCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 216.19134
- Monoisotopic Mass: 216.191172
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 11
- Complexity: 91.2
- 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
- XLogP3: 6.6
- Topological Polar Surface Area: 1
Experimental Properties
- Density: 0.841
- Melting Point: 8.89°C
- Boiling Point: 291 oC
- Flash Point: 112 oC
- Refractive Index: 1.4586
- PSA: 0
- LogP: 5.22720
1-Tridecanethiol Related Literature
-
1. Dielectric relaxation of alkan-1-ols and 1-thiols in a polystyrene matrixMd. Entazul Huque,Stanley Walker J. Chem. Soc. Faraday Trans. 2 1986 82 511
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