Cas no 30161-13-8 ( )
structure
Product Name:
CAS No:30161-13-8
MF:C19H14O2S
MW:306.378263950348
CID:915943
PubChem ID:233515
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(8-methylnaphtho[7,6-b][1]benzothiol-7-yl)acetic acid
- (8-methylbenzo[b]naphtho[2,3-d]thiophen-7-yl)acetic acid
- (8-methyl-benzo[b]naphtho[2,3-d]thiophen-7-yl)-acetic acid
- AC1L5Q7I
- AC1Q5VN8
- AG-K-00087
- AR-1A7227
- CTK4G4592
- KST-1A4113
- NSC32087
- DTXSID00283553
- NSC-32087
- 30161-13-8
-
-
- Inchi： 1S/C19H14O2S/c1-11-6-7-12-8-16-13-4-2-3-5-17(13)22-18(16)9-15(12)14(11)10-19(20)21/h2-9H,10H2,1H3,(H,20,21)
- InChI Key： DAOWWCXRVAOWKO-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C=C3C=CC(C)=C(CC(=O)O)C3=CC1=2
Computed Properties
- Exact Mass: 306.07152
- Monoisotopic Mass: 306.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 437
- 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: 5.4
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
- LogP: 5.14320
Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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