Cas no 55290-52-3 (Thiocyanic acid, 2-aminophenyl ester (9CI))
55290-52-3 structure
Product Name:Thiocyanic acid, 2-aminophenyl ester (9CI)
CAS No:55290-52-3
MF:C7H6N2S
MW:150.200939655304
CID:838578
PubChem ID:20452036
Update Time:2025-04-19
Thiocyanic acid, 2-aminophenyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid, 2-aminophenyl ester (9CI)
- (2-aminophenyl) thiocyanate
- Thiocyanic acid, 2-aminophenyl ester
- o-Thiocyanoaniline
-
- Inchi： 1S/C7H6N2S/c8-5-10-7-4-2-1-3-6(7)9/h1-4H,9H2
- InChI Key： ALCSIGNRSZDGBF-UHFFFAOYSA-N
- SMILES： S(C#N)C1C=CC=CC=1N
Computed Properties
- Exact Mass: 150.02500
- Monoisotopic Mass: 150.02516937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 1.8
- Topological Polar Surface Area: 75.1?2
Experimental Properties
- Density: 1.27
- Boiling Point: 274 oC
- Flash Point: 119 oC
- PSA: 75.11000
- LogP: 2.42318
Thiocyanic acid, 2-aminophenyl ester (9CI) Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Thiocyanic acid, 2-aminophenyl ester (9CI) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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