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Thiambutosine 50mg

CAT: 0628-A22187-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22187-50Size:50 mg
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CAS Number
500-89-0

Chemical Information

Thiambutosine

Thiambutosine is a small molecule drug. Thiambutosine has a monoisotopic molecular weight of 343.17 Da.

CAS Number500-89-0
PubChem CID3002003
IUPAC Name1-(4-butoxyphenyl)-3-[4-(dimethylamino)phenyl]thiourea
Molecular FormulaC19H25N3OS
Molecular Weight343.5
XLogP4.4
Topological Polar Surface Area68.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity362
SMILES
CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C19H25N3OS/c1-4-5-14-23-18-12-8-16(9-13-18)21-19(24)20-15-6-10-17(11-7-15)22(2)3/h6-13H,4-5,14H2,1-3H3,(H2,20,21,24)
InChIKey
JYCBKPOKWDDOOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiambutosine
CAS: 500-89-0
CID: 3002003
Formula: C19H25N3OS
MW: 343.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass343.17183360
Monoisotopic Mass343.17183360
Topological Polar Surface Area68.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity362
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