Cas no 5443-87-8 (9H-Purine,6-[(1-methylethyl)thio]-)
5443-87-8 structure
Product Name:9H-Purine,6-[(1-methylethyl)thio]-
CAS No:5443-87-8
MF:C8H10N4S
MW:194.256799221039
CID:385753
PubChem ID:3698120
Update Time:2025-04-19
9H-Purine,6-[(1-methylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,6-[(1-methylethyl)thio]-
- 6-propan-2-ylsulfanyl-7H-purine
- 6-(Isopropylthio)purine
- 6-(methylethylthio)purine
- 6-isopropylmercapto-7(9)H-purine
- AC1MWE8O
- C15347
- NSC19861
- SureCN754882
- UNII-2X1HOW5AEU
- Q27148985
- CHEBI:79849
- 1H-Purine,6-((1-methylethyl)thio)-
- SCHEMBL754882
- 1H-Purine, 6-[(1-methylethyl)thio]-
- 2X1HOW5AEU
- 5443-87-8
- NSC-19861
- 9H-Purine, 6-((1-methylethyl)thio)-
- AKOS002203773
- DTXSID10395196
-
- Inchi: 1S/C8H10N4S/c1-5(2)13-8-6-7(10-3-9-6)11-4-12-8/h3-5H,1-2H3,(H,9,10,11,12)
- InChI Key: AKRVBASKTIDYRB-UHFFFAOYSA-N
- SMILES: S(C1=C2C(=NC=N1)N=CN2)C(C)C
Computed Properties
- Exact Mass: 194.06300
- Monoisotopic Mass: 194.06261751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 1.9
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 79.76000
- LogP: 1.85340
9H-Purine,6-[(1-methylethyl)thio]- Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
9H-Purine,6-[(1-methylethyl)thio]- Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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