-
Name
4-Benzothiazolol
- EINECS
- CAS No. 7405-23-4
- Article Data10
- CAS DataBase
- Density 1.444
- Solubility 8.80E+05 mg/L at 16 °C
- Melting Point 143℃
- Formula C7H5NOS
- Boiling Point 312℃
- Molecular Weight 151.19
- Flash Point 142℃
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Hydroxybenzothiazole;NSC 403244;
- PSA 61.36000
- LogP 2.00190
4-Benzothiazolol Specification
This chemical is called 4-Benzothiazolol, and its systematic name is 1,3-benzothiazol-4-ol. With the molecular formula of C7H5NOS, its molecular weight is 151.19. The CAS registry number of this chemical is 7405-23-4.
Other characteristics of the 4-Benzothiazolol can be summarised as followings: (1)XLogP3-AA: 2; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 0; (5)Tautomer Count: 2; (6)Exact Mass: 151.009184; (7)MonoIsotopic Mass: 151.009184; (8)Topological Polar Surface Area: 61.4; (9)Heavy Atom Count: 10; (10)Formal Charge: 0; (11)Complexity: 131; (12)Covalently-Bonded Unit Count: 1; (13)Feature 3D Acceptor Count: 1; (14)Feature 3D Donor Count: 1; (15)Feature 3D Ring Count: 2.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c2c(c1)scn2)O
2.InChI: InChI=1/C7H5NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H
3.InChIKey: NZFKDDMHHUEVPI-UHFFFAOYAY
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