Cas no 60948-99-4 (1,8-Naphthalenedimethanethiol)
1,8-Naphthalenedimethanethiol structure
Product Name:1,8-Naphthalenedimethanethiol
CAS No:60948-99-4
MF:C12H12S2
MW:220.353680610657
CID:526158
PubChem ID:143751
Update Time:2025-04-19
1,8-Naphthalenedimethanethiol Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Naphthalenedimethanethiol
- [8-(sulfanylmethyl)naphthalen-1-yl]methanethiol
-
- Inchi： 1S/C12H12S2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6,13-14H,7-8H2
- InChI Key： JKNPWHHGFOPCTJ-UHFFFAOYSA-N
- SMILES： SCC1C=CC=C2C=CC=C(CS)C2=1
Computed Properties
- Exact Mass: 220.038
- Monoisotopic Mass: 220.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 163
- 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: 3.3
- Topological Polar Surface Area: 2?2
Experimental Properties
- Density: 1.195g/cm3
- Boiling Point: 398.3oC at 760 mmHg
- Flash Point: 166.8oC
- Refractive Index: 1.681
- LogP: 3.69940
1,8-Naphthalenedimethanethiol Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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