Products for Research Use Only
RegisterLogin

Kobe0065

CAT: 0607-B3586-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B3586-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ras inhibitor
CAS Number
436133-68-5
Product Name Alternative
N-(3-chloro-4-methylphenyl)-2-(2,6-dinitro-4-(trifluoromethyl)phenyl)hydrazinecarbothioamide
Field of Research
GPCR G protein Ras
Purity
0.9949
Form
A solid
Solubility
≥23.85 mg/mL in DMSO; insoluble in H2O; ≥3.24 mg/mL in EtOH with ultrasonic
Smiles
ClC1=CC(NC(NNC2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)=S)=CC=C1C
Molecular Formula
C15H11ClF3N5O4S
Molecular Weight
449.79
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-hydrazinecarbothioamide
CAS Number436133-68-5
PubChem CID3827663
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[2,6-dinitro-4-(trifluoromethyl)anilino]thiourea
Molecular FormulaC15H11ClF3N5O4S
Molecular Weight449.8
XLogP5.5
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity609
SMILES
CC1=C(C=C(C=C1)NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H11ClF3N5O4S/c1-7-2-3-9(6-10(7)16)20-14(29)22-21-13-11(23(25)26)4-8(15(17,18)19)5-12(13)24(27)28/h2-6,21H,1H3,(H2,20,22,29)
InChIKey
KSJVAYBCXSURMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Chloro-4-methylphenyl)-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-hydrazinecarbothioamide
CAS: 436133-68-5
CID: 3827663
Formula: C15H11ClF3N5O4S
MW: 449.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.8
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass449.0172372
Monoisotopic Mass449.0172372
Topological Polar Surface Area160 Ų
Heavy Atom Count29
Formal Charge0
Complexity609
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

Alternative Products

CatalogName
T1876-01Kobe0065
A13135-50Kobe0065 50mg
A13135-500Kobe0065 500mg
A13135-5Kobe0065 5mg
A13135-100Kobe0065 100mg
A13135-25Kobe0065 25mg
A13135-10Kobe0065 10mg
A13135-200Kobe0065 200mg

Popular Products