Cas no 201298-40-0 (6-iodo-3-methyl-4(3h)-quinazolinone)
201298-40-0 structure
Product Name:6-iodo-3-methyl-4(3h)-quinazolinone
CAS No:201298-40-0
MF:C9H7IN2O
MW:286.069154024124
CID:1391587
PubChem ID:17139091
Update Time:2025-04-20
6-iodo-3-methyl-4(3h)-quinazolinone Chemical and Physical Properties
Names and Identifiers
-
- 6-iodo-3-methyl-4(3h)-quinazolinone
- ANW-32072
- 6-iodo-3H-benzothiazole-2-thione
- AGN-PC-00KEF6
- 6-iodo-3-methylquinazolin-4-one
- ACMC-209lga
- 6-iodo-3-methyl-3H-quinazolin-4-one
- CTK5A0931
- 2-Mercapto-6-jodbenzothiazol
- SureCN1094500
- 6-IODO-2-MERCAPTOBENZOTHIAZOLE
- 6-Iodo-benzothiazole
- 6-iodobenzo[d]thiazole-2-thiol
- 6-iodobenzothiazole-2-thiol
- 6-Iodobenzo[d]thiazole-2(3H)-thione
- 6-iodo-3-methyl-3,4-dihydroquinazolin-4-one
- SCHEMBL3230513
- DTXSID601294197
- A1-27091
- LBHPISWKDKLDEW-UHFFFAOYSA-N
- 6-iodo-3-methylquinazolin-4(3H)-one
- 201298-40-0
- DB-296563
- AKOS003389363
- Z1198323940
-
- Inchi： 1S/C9H7IN2O/c1-12-5-11-8-3-2-6(10)4-7(8)9(12)13/h2-5H,1H3
- InChI Key： LBHPISWKDKLDEW-UHFFFAOYSA-N
- SMILES： IC1C=CC2=C(C=1)C(N(C)C=N2)=O
Computed Properties
- Exact Mass: 285.95991
- Monoisotopic Mass: 285.96031g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 254
- 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: 1.3
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
6-iodo-3-methyl-4(3h)-quinazolinone Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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