Cas no 3321-94-6 (Thiocyanic acid, 4-(acetylamino)phenyl ester)
3321-94-6 structure
Product Name:Thiocyanic acid, 4-(acetylamino)phenyl ester
CAS No:3321-94-6
MF:C9H8N2OS
MW:192.237620353699
CID:292885
PubChem ID:458738
Update Time:2025-04-19
Thiocyanic acid, 4-(acetylamino)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid, 4-(acetylamino)phenyl ester
- (4-acetamidophenyl) thiocyanate
- 4-Acetamino-phenylrhodanid
- 4-Acetamino-phenylthiocynat
- 4-acetylaminophenylthiocyanate
- 4-Rhodan-acetanilid
- p-cyanothioacetanilide
- Thiocyanic acid,ester with p-hydroxyacetanilide
- 3321-94-6
- Thiocyanic acid, ester with p-hydroxyacetanilide
- DTXSID70332562
- APEAGEVJCMOJFZ-UHFFFAOYSA-N
- SCHEMBL6165267
-
- Inchi： 1S/C9H8N2OS/c1-7(12)11-8-2-4-9(5-3-8)13-6-10/h2-5H,1H3,(H,11,12)
- InChI Key： APEAGEVJCMOJFZ-UHFFFAOYSA-N
- SMILES： S(C#N)C1C=CC(=CC=1)NC(C)=O
Computed Properties
- Exact Mass: 192.03600
- Monoisotopic Mass: 192.03573406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 225
- 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: 2.1
- Topological Polar Surface Area: 78.2?2
Experimental Properties
- PSA: 81.68000
- LogP: 2.86768
Thiocyanic acid, 4-(acetylamino)phenyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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