Cas no 73825-57-7 (1,5-diisothiocyanatonaphthalene)
73825-57-7 structure
Product Name:1,5-diisothiocyanatonaphthalene
CAS No:73825-57-7
MF:C12H6N2S2
MW:242.319439411163
CID:978501
PubChem ID:52617
Update Time:2025-04-19
1,5-diisothiocyanatonaphthalene Chemical and Physical Properties
Names and Identifiers
-
- 1,5-diisothiocyanatonaphthalene
- 1,5-Naphthalenediyldiisothiocyanate
- AC1L1D9E
- BRN 2724985
- ISOTHIOCYANIC ACID, 1,5-NAPHTHYLENE ESTER
- Naphthalene, 1,5-diisothiocyanato-
- Naphthalene,5-diisothiocyanato-
- NCIOpen2_007282
- NSC 103603
- WLN: L66J BNCS GNCS
- NSC-103603
- Isothiocyanic acid,5-naphthylene ester
- UNII-ISD0872BT8
- 73825-57-7
- ISD0872BT8
- 1,5-NAPHTHALENEDIYL DIISOTHIOCYANATE
- DTXSID80224282
- NSC103603
- SCHEMBL1997655
-
- Inchi： 1S/C12H6N2S2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H
- InChI Key： GDZKOGLUMKYXSW-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC=C2C(=CC=CC2=1)N=C=S
Computed Properties
- Exact Mass: 241.99738
- Monoisotopic Mass: 241.99724055g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 309
- 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: 5.7
- Topological Polar Surface Area: 88.9?2
Experimental Properties
- PSA: 24.72
- LogP: 4.30840
1,5-diisothiocyanatonaphthalene Related Literature
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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