Cas no 75865-43-9 (2,4-diisothiocyanato-1-methoxybenzene)
75865-43-9 structure
Product Name:2,4-diisothiocyanato-1-methoxybenzene
CAS No:75865-43-9
MF:C9H6N2OS2
MW:222.286738872528
CID:982082
PubChem ID:53391
Update Time:2025-04-19
2,4-diisothiocyanato-1-methoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 2,4-diisothiocyanato-1-methoxybenzene
- 4-Methoxyisothiocyanic acid m-phenylene ester
- AC1L1ETU
- AC1Q4C4Y
- Benzene, 2,4-diisothiocyanato-1-methoxy-
- BRN 2728958
- Isothiocyanic acid, 4-methoxy-m-phenylene diester
- ISOTHIOCYANIC ACID, 4-METHOXY-m-PHENYLENE ESTER
- NSC 159959
- SCHEMBL11415006
- DTXSID30226771
- Benzene,4-diisothiocyanato-1-methoxy-
- NSC159959
- NSC-159959
- 75865-43-9
-
- Inchi： 1S/C9H6N2OS2/c1-12-9-3-2-7(10-5-13)4-8(9)11-6-14/h2-4H,1H3
- InChI Key： JOBKGJDSUMJPRT-UHFFFAOYSA-N
- SMILES： S=C=NC1C=C(C=CC=1OC)N=C=S
Computed Properties
- Exact Mass: 221.99228
- Monoisotopic Mass: 221.99215517g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 283
- 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: 4.7
- Topological Polar Surface Area: 98.1?2
Experimental Properties
- PSA: 33.95
- LogP: 3.16380
2,4-diisothiocyanato-1-methoxybenzene Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
75865-43-9 (2,4-diisothiocyanato-1-methoxybenzene) Related Products
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- 40532-06-7(2,5-Dimethoxyphenyl isothiocyanate)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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