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TPT-260 Dihydrochloride

CAT: 0607-B3385-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-B3385-100Size:100 mg
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Description
Thiophene thiourea derivative
CAS Number
2076-91-7
Product Name Alternative
thiophene-2,5-diylbis(methylene) dicarbamimidothioate dihydrochloride
Field of Research
Others
Purity
0.9732
Form
A crystalline solid
Solubility
≥13.9 mg/mL in DMSO; insoluble in EtOH; ≥11.2 mg/mL in H2O
Smiles
N=C(SCC(S1)=CC=C1CSC(N)=N)N.Cl.Cl
Molecular Formula
C8H14Cl2N4S3
Molecular Weight
333.32
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(Thiene-2,5-diyl)bis(methylene) dicarbamimidothioate--hydrogen chloride (1/1)
CAS Number2076-91-7
PubChem CID54599467
IUPAC Name[5-(carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate;hydrochloride
Molecular FormulaC8H13ClN4S3
Molecular Weight296.9
Topological Polar Surface Area179
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity222
SMILES
C1=C(SC(=C1)CSC(=N)N)CSC(=N)N.Cl
InChI
InChI=1S/C8H12N4S3.ClH/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12;/h1-2H,3-4H2,(H3,9,10)(H3,11,12);1H
InChIKey
PYIIEKPQGRXMHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Thiene-2,5-diyl)bis(methylene) dicarbamimidothioate--hydrogen chloride (1/1)
CAS: 2076-91-7
CID: 54599467
Formula: C8H13ClN4S3
MW: 296.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass295.9990876
Monoisotopic Mass295.9990876
Topological Polar Surface Area179 Ų
Heavy Atom Count16
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS386314-01TPT-260 (Dihydrochloride)
T1856-01TPT-260 Dihydrochloride
A13966-200TPT-260 (Dihydrochloride) 200mg
A13966-50TPT-260 (Dihydrochloride) 50mg
A13966-10TPT-260 (Dihydrochloride) 10mg
A13966-5TPT-260 (Dihydrochloride) 5mg
A13966-100TPT-260 (Dihydrochloride) 100mg
A13966-25TPT-260 (Dihydrochloride) 25mg
A13966-2TPT-260 (Dihydrochloride) 2mg
A13966-10mM-DTPT-260 (Dihydrochloride) 10mM * 1mL in DMSO

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