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Compound Fr13545

CAT: 0931-Fr13545-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13545-01Size:100 mg
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CAS Number
175202-71-8
Bioactivity
Compound Fr13545, with CAS No. 175202-71-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13545 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
CSc1scc2CC(C)(C)C\C(=N\O)c12
Molecular Formula
C11H15NOS2
Molecular Weight
241.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-ylidene)hydroxylamine
CAS Number175202-71-8
PubChem CID2778830
IUPAC NameN-(6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-ylidene)hydroxylamine
Molecular FormulaC11H15NOS2
Molecular Weight241.4
XLogP3.6
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity278
SMILES
CC1(CC2=CSC(=C2C(=NO)C1)SC)C
InChI
InChI=1S/C11H15NOS2/c1-11(2)4-7-6-15-10(14-3)9(7)8(5-11)12-13/h6,13H,4-5H2,1-3H3
InChIKey
MSRIAXHKDICKTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-ylidene)hydroxylamine
CAS: 175202-71-8
CID: 2778830
Formula: C11H15NOS2
MW: 241.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight241.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass241.05950645
Monoisotopic Mass241.05950645
Topological Polar Surface Area86.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr13595-01Compound Fr13595
Fr13045-01Compound Fr13045
Fr13585-01Compound Fr13585
Fr13548-01Compound Fr13548
Fr13535-01Compound Fr13535
Fr13515-01Compound Fr13515
Fr13455-01Compound Fr13455
Fr13445-01Compound Fr13445
Fr13554-01Compound Fr13554
Fr13546-01Compound Fr13546

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
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