Cas no 54395-81-2 (1-Azetidinecarbothioic acid, 3,3-dimethyl-, S-(phenylmethyl) ester)
54395-81-2 structure
Product Name:1-Azetidinecarbothioic acid, 3,3-dimethyl-, S-(phenylmethyl) ester
CAS No:54395-81-2
MF:C13H17NOS
MW:235.345182180405
CID:354722
PubChem ID:21399259
Update Time:2025-04-19
1-Azetidinecarbothioic acid, 3,3-dimethyl-, S-(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Azetidinecarbothioic acid, 3,3-dimethyl-, S-(phenylmethyl) ester
- S-benzyl 3,3-dimethylazetidine-1-carbothioate
- SCHEMBL11747284
- DTXSID70613106
- 54395-81-2
-
- Inchi： 1S/C13H17NOS/c1-13(2)9-14(10-13)12(15)16-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
- InChI Key： LDIHBAUBNZZNPT-UHFFFAOYSA-N
- SMILES： S(CC1C=CC=CC=1)C(N1CC(C)(C)C1)=O
Computed Properties
- Exact Mass: 235.10321
- Monoisotopic Mass: 235.10308534g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 3.1
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- PSA: 20.31
1-Azetidinecarbothioic acid, 3,3-dimethyl-, S-(phenylmethyl) ester Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
54395-81-2 (1-Azetidinecarbothioic acid, 3,3-dimethyl-, S-(phenylmethyl) ester) Related Products
- 52888-80-9(Prosulfocarb)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
