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Rhodanine

CAT: 0572-TRC-R318615-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-R318615-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141-84-4
Synonyms
2-Thio-4-ketothiazolidine; 2-Thio-4-thiazolinone; 2-Thioxo-1,3-thiazolidin-4-one; 2-Thioxo-4-thiazolidinone; 4-Oxo-1,3-thiazolidine-2-thione; 4-Oxo-2-thiazolidinethione; 4-Oxo-2-thionothiazolidine; 4-Oxo-2-thioxothiazolidine; 4-Thiazolidinone-2-thione; NSC 1899; Rhodaninic Acid
Hazard Statement
No Data Available
Smiles
O=C1CSC(=S)N1
Molecular Formula
C3H3NOS2
Molecular Weight
133.19
Shipping Conditions
Room Temperature

Chemical Information

Rhodanine

Rhodanine is a thiazolidinone.

CAS Number141-84-4
PubChem CID1201546
IUPAC Name2-sulfanylidene-1,3-thiazolidin-4-one
Molecular FormulaC3H3NOS2
Molecular Weight133.20
XLogP0.7
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity122
SMILES
C1C(=O)NC(=S)S1
InChI
InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey
KIWUVOGUEXMXSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rhodanine
CAS: 141-84-4
CID: 1201546
Formula: C3H3NOS2
MW: 133.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.20
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass132.96560607
Monoisotopic Mass132.96560607
Topological Polar Surface Area86.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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