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Iron Chelator, Dp44mT

CAT: 0572-TRC-I775478-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I775478-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152095-12-0
Hazard Statement
No Data Available
Smiles
CN(C)C(=S)NN=C(c1ccccn1)c2ccccn2
Molecular Formula
C14 H15 N5 S
Molecular Weight
285.367
InChI
InChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)
Additionnal Information
IUPAC name: 3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea
Shipping Conditions
Room Temperature

Chemical Information

Dp44mT
CAS Number152095-12-0
PubChem CID10334137
IUPAC Name3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea
Molecular FormulaC14H15N5S
Molecular Weight285.37
XLogP2.2
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity335
SMILES
CN(C)C(=S)NN=C(C1=CC=CC=N1)C2=CC=CC=N2
InChI
InChI=1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)
InChIKey
XOBIGRNRXCAMJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dp44mT
CAS: 152095-12-0
CID: 10334137
Formula: C14H15N5S
MW: 285.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight285.37
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass285.10481667
Monoisotopic Mass285.10481667
Topological Polar Surface Area85.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity335
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