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Compound Fr13564

CAT: 0931-Fr13564-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13564-03Size:10 mg
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CAS Number
883030-56-6
Bioactivity
Compound Fr13564, with CAS No. 883030-56-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13564 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC1CC(CC(C)(C)C1)NC(=S)NCCO
Molecular Formula
C12H24N2OS
Molecular Weight
244.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(2-Hydroxyethyl)-3-(3,3,5-trimethylcyclohexyl)thiourea
CAS Number883030-56-6
PubChem CID2731008
IUPAC Name1-(2-hydroxyethyl)-3-(3,3,5-trimethylcyclohexyl)thiourea
Molecular FormulaC12H24N2OS
Molecular Weight244.40
XLogP2.4
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity243
SMILES
CC1CC(CC(C1)(C)C)NC(=S)NCCO
InChI
InChI=1S/C12H24N2OS/c1-9-6-10(8-12(2,3)7-9)14-11(16)13-4-5-15/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)
InChIKey
VLVUHHONVJIBBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxyethyl)-3-(3,3,5-trimethylcyclohexyl)thiourea
CAS: 883030-56-6
CID: 2731008
Formula: C12H24N2OS
MW: 244.40
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.40
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass244.16093457
Monoisotopic Mass244.16093457
Topological Polar Surface Area76.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13569-01Compound Fr13569
Fr13164-01Compound Fr13164
Fr13566-01Compound Fr13566
Fr13560-01Compound Fr13560
Fr13594-01Compound Fr13594
Fr13554-01Compound Fr13554
Fr13546-01Compound Fr13546
Fr13544-01Compound Fr13544
Fr13264-01Compound Fr13264
Fr13654-01Compound Fr13654

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

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