Cas no 5677-12-3 ((5z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one)
![(5z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one structure](https://ossimg.kuujia.com/scimg/6000/5677-12-3x500.png)
5677-12-3 structure
Product Name:(5z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No:5677-12-3
MF:C14H14Cl2N2OS2
MW:361.309758663177
CID:945939
PubChem ID:6063005
Update Time:2025-04-19
(5z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- (5z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- MLS002694992; NSC90528; AC1O15YS; NSC-90528;
- 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- 5-[4-[bis(2-chloroethyl)amino]benzylidene]-2-thioxo-thiazolidin-4-one
- 5677-12-3
- MLS002694992
- cid_4302151
- DTXSID00421837
- SMR001560905
- NSC-90528
- BDBM91393
- NSC90528
- 5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-4-thiazolidinone
-
- Inchi： 1S/C14H14Cl2N2OS2/c15-5-7-18(8-6-16)11-3-1-10(2-4-11)9-12-13(19)17-14(20)21-12/h1-4,9H,5-8H2,(H,17,19,20)/b12-9-
- InChI Key： PLSRJGXCEPRALP-XFXZXTDPSA-N
- SMILES： ClCCN(CCCl)C1C=CC(/C=C2/C(NC(=S)S/2)=O)=CC=1
Computed Properties
- Exact Mass: 359.99272
- Monoisotopic Mass: 359.99246
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 417
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 89.7
- XLogP3: 4.1
Experimental Properties
- Density: 1.45
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.679
- PSA: 32.34
- LogP: 3.78820
(5z)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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