Cas no 31613-04-4 (Dibenzothiophene,3,6-dimethyl-)
31613-04-4 structure
Product Name:Dibenzothiophene,3,6-dimethyl-
CAS No:31613-04-4
MF:C14H12S
MW:212.310082435608
CID:310187
PubChem ID:182057
Update Time:2025-04-19
Dibenzothiophene,3,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzothiophene,3,6-dimethyl-
- 3,6-DIMETHYLDIBENZOTHIOPHENE
- 2,6-Dimethyldibenzothiophene (6:1)
- 2,6-Dimethyldibenzothiophene (6:1)100μg
- Dibenzothiophene,1,7-dimethyl
- Dibenzothiophene,3,6-dimethyl
- 3,6-dimethyl-dibenzothiophene
- SCHEMBL5849366
- DTXSID70185499
- Dibenzothiophene, 3,6-dimethyl
- JTASASABTJTWTR-UHFFFAOYSA-N
- 3,6-Dimethyldibenzo[b,d]thiophene
- 31613-04-4
- Dibenzothiophene, 3,6-dimethyl-
-
- Inchi： 1S/C14H12S/c1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9/h3-8H,1-2H3
- InChI Key： JTASASABTJTWTR-UHFFFAOYSA-N
- SMILES： S1C2C=C(C)C=CC=2C2C=CC=C(C)C1=2
Computed Properties
- Exact Mass: 212.06600
- Monoisotopic Mass: 212.06597156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 238
- 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
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 28.24000
- LogP: 4.67130
Dibenzothiophene,3,6-dimethyl- Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Dibenzothiophene,3,6-dimethyl- Related Literature
-
I. Naboulsi,C. Felipe Linares Aponte,B. Lebeau,S. Brunet,L. Michelin,M. Bonne,J. L. Blin Chem. Commun. 2017 53 2717
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