18a-Methylestrone

CAT: 0024-sc-483619Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-483619Size:50 mg

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CAS Number

6544-68-9

Chemical Information

5-(5,7-dichloro-2-oxo-1H-indol-3-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

CAS Number	6544-68-9
PubChem CID	2316744
IUPAC Name	5,7-dichloro-3-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
Molecular Formula	C13H8Cl2N2O2S2
Molecular Weight	359.3
XLogP	3.1
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	747

SMILES

CCN1C(=C(SC1=S)C2=C3C=C(C=C(C3=NC2=O)Cl)Cl)O

InChI

InChI=1S/C13H8Cl2N2O2S2/c1-2-17-12(19)10(21-13(17)20)8-6-3-5(14)4-7(15)9(6)16-11(8)18/h3-4,19H,2H2,1H3

InChIKey

QKZWZIYNUGTOGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6544-68-9

CID: 2316744

Formula: C13H8Cl2N2O2S2

MW: 359.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.3
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	357.9404252
Monoisotopic Mass	357.9404252
Topological Polar Surface Area	110 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	747
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-483618	18-Methylestrone methyl ether
sc-415644-HDR	CLEC-18A HDR Plasmid (h)
sc-415644-NIC-2	CLEC-18A Double Nickase Plasmid (h2)
sc-415644-LAC	CLEC-18A Lentiviral Activation Particles (h)
sc-415644-NIC	CLEC-18A Double Nickase Plasmid (h)
sc-415644-ACT-2	CLEC-18A CRISPR Activation Plasmid (h2)
sc-415644-LAC-2	CLEC-18A Lentiviral Activation Particles (h2)
sc-415644	CLEC-18A CRISPR/Cas9 KO Plasmid (h)
sc-219366	Nicotinic Acid Methyl Ester 5-N-Methylnitrone
sc-19995	PDGFR-β (18A2)

Catalog	Name
AR-E08975-01	18a-Methylestrone
418832-01	2-Methylestrone
EAA01148-01	1-Methylestrone
433160-01	4-Methylestrone
158962	18-Methylestrone Methyl Ether
HY-110253-01	18A
GTR19274353-01	NPT100-18A
402357-01	MUNC-18a
MZIP18a-PA-1	miRZip-18a anti-miR-18a microRNA construct
AF6640-BP	MUNC-18a Peptide