Cas no 7346-35-2 (Thiocyanic acid,C,C'-1,4-butanediyl ester)
7346-35-2 structure
Product Name:Thiocyanic acid,C,C'-1,4-butanediyl ester
CAS No:7346-35-2
MF:C6H8N2S2
MW:172.271118164063
CID:579953
PubChem ID:350651
Update Time:2025-04-19
Thiocyanic acid,C,C'-1,4-butanediyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid,C,C'-1,4-butanediyl ester
- 4-thiocyanatobutyl thiocyanate
- Tetramethylenebisthiocyanate
- 1,4-bis(thiocyanato)butane
- 1,4-Bis-thiocyanato-butan
- 1,4-bis-thiocyanato-butane
- 1,4-Dithiocyanato-butan
- 1,4-dithiocyanatobutane
- 2,7-Dithia-octandinitril
- AC1L6WOQ
- CTK9A2990
- NSC514207
- Tetramethylendithiocyanat
- 7346-35-2
- NSC-514207
- TETRAMETHYLENE DITHIOCYANATE
- SCHEMBL9001565
- Butane-1,4-diyl bis(thiocyanate)
- AKOS024332952
- DTXSID70325631
-
- Inchi： 1S/C6H8N2S2/c7-5-9-3-1-2-4-10-6-8/h1-4H2
- InChI Key： SDOXAONWZOPJRB-UHFFFAOYSA-N
- SMILES： S(C#N)CCCCSC#N
Computed Properties
- Exact Mass: 172.01304
- Monoisotopic Mass: 172.01289061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 141
- 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: 2.3
- Topological Polar Surface Area: 98.2?2
Experimental Properties
- PSA: 47.58
Thiocyanic acid,C,C'-1,4-butanediyl ester Related Literature
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
7346-35-2 (Thiocyanic acid,C,C'-1,4-butanediyl ester) Related Products
- 628-83-1((butylsulfanyl)carbonitrile)
- 765-15-1(n-Dodecyl thiocyanate)
- 19942-78-0(n-Octyl thiocyanate)
- 32446-40-5(pentyl thiocyanate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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