Cas no 13331-30-1 (Naphtho[2,3-d]thiazole-2(3H)-thione)
13331-30-1 structure
Product Name:Naphtho[2,3-d]thiazole-2(3H)-thione
CAS No:13331-30-1
MF:C11H7NS2
MW:217.3099796772
CID:119490
PubChem ID:12617509
Update Time:2025-04-18
Naphtho[2,3-d]thiazole-2(3H)-thione Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[2,3-d]thiazole-2(3H)-thione
- 3H-benzo[f][1,3]benzothiazole-2-thione
- Naphtho[2,3-d]thiazole-2(3H)-thione (9CI)
- 13331-30-1
- DTXSID40504496
- Naphtho[2,3-d][1,3]thiazole-2(3H)-thione
- SCHEMBL11780399
-
- Inchi: 1S/C11H7NS2/c13-11-12-9-5-7-3-1-2-4-8(7)6-10(9)14-11/h1-6H,(H,12,13)
- InChI Key: IHUDAVOKNKHDNA-UHFFFAOYSA-N
- SMILES: S1C(NC2C=C3C=CC=CC3=CC1=2)=S
Computed Properties
- Exact Mass: 217.00211
- Monoisotopic Mass: 217.00199157g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- 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: 3.7
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- PSA: 12.03
Naphtho[2,3-d]thiazole-2(3H)-thione Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jason Wan Lab Chip, 2020,20, 4528-4538
13331-30-1 (Naphtho[2,3-d]thiazole-2(3H)-thione) Related Products
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