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Compound Fr12973

CAT: 0931-Fr12973-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12973-02Size:2 mg
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CAS Number
175276-79-6
Bioactivity
Compound Fr12973, with CAS No. 175276-79-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12973 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
NC(=S)C1=CC=CC(=C1)N1C=CC=C1
Molecular Formula
C11H10N2S
Molecular Weight
202.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide
CAS Number175276-79-6
PubChem CID2799009
IUPAC Name3-pyrrol-1-ylbenzenecarbothioamide
Molecular FormulaC11H10N2S
Molecular Weight202.28
XLogP2.6
Topological Polar Surface Area63
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity211
SMILES
C1=CN(C=C1)C2=CC=CC(=C2)C(=S)N
InChI
InChI=1S/C11H10N2S/c12-11(14)9-4-3-5-10(8-9)13-6-1-2-7-13/h1-8H,(H2,12,14)
InChIKey
LKZUYCBQOPNMNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide
CAS: 175276-79-6
CID: 2799009
Formula: C11H10N2S
MW: 202.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.28
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass202.05646950
Monoisotopic Mass202.05646950
Topological Polar Surface Area63 Ų
Heavy Atom Count14
Formal Charge0
Complexity211
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

Related Products

CatalogName
Fr12977-01Compound Fr12977
Fr12773-01Compound Fr12773
Fr12873-01Compound Fr12873
Fr12975-01Compound Fr12975
Fr12972-01Compound Fr12972
Fr12970-01Compound Fr12970
Fr12953-01Compound Fr12953
Fr12573-01Compound Fr12573
Fr12983-01Compound Fr12983
Fr12971-01Compound Fr12971

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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