Cas no 62648-52-6 (1-Naphthalenethiol, 4-bromo-)
1-Naphthalenethiol, 4-bromo- structure
Product Name:1-Naphthalenethiol, 4-bromo-
CAS No:62648-52-6
MF:C10H7BrS
MW:239.131580591202
CID:436490
PubChem ID:12357826
Update Time:2025-04-19
1-Naphthalenethiol, 4-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenethiol, 4-bromo-
- 4-bromonaphthalene-1-thiol
- SCHEMBL1393656
- DTXSID80493855
- FT-0775060
- AKOS018153550
- 62648-52-6
-
- Inchi： 1S/C10H7BrS/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
- InChI Key： BQGIJORGYRANHR-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C2C=CC=CC2=1)S
Computed Properties
- Exact Mass: 237.94521
- Monoisotopic Mass: 237.94518g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 4
- Topological Polar Surface Area: 1?2
Experimental Properties
- PSA: 0
1-Naphthalenethiol, 4-bromo- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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