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Cartap Hydrochloride

CAT: 0572-TRC-C184453-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C184453-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15263-52-2
Synonyms
Carbamic acid, thio-, S,S'-[2-(dimethylamino)trimethylene] ester, monohydrochloride (8CI); Carbamothioic acid, S,S'-[2-(dimethylamino)-1,3-propanediyl] ester, monohydrochloride (9CI); 1,3-Propanedithiol, 2-(dimethylamino)-, dicarbamate (ester), monohydrochloride (8CI); 1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane hydrochloride; 2-(Dimethylamino)-1,3-propanedithiol dicarbamate hydrochloride; Caldan; Cartap hydrochloride; NTD 2; Padan; Padan 4 G; Suntap; Vegetox; Carbamothioic acid, SC,SC'-[2-(dimethylamino)-1,3-propanediyl] ester, hydrochloride (1:1)
Hazard Statement
Toxic if swallowed; UN number: UN2757; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.CN(C)C(CSC(=O)N)CSC(=O)N
Molecular Formula
C7 H15 N3 O2 S2 . Cl H
Molecular Weight
273.8
InChI
InChI=1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H
Additionnal Information
IUPAC name: S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cartap hydrochloride
CAS Number15263-52-2
PubChem CID30913
IUPAC NameS-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride
Molecular FormulaC7H16ClN3O2S2
Molecular Weight273.8
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count15
Formal Charge0
Complexity193
SMILES
CN(C)C(CSC(=O)N)CSC(=O)N.Cl
InChI
InChI=1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H
InChIKey
MSHXTAQSSIEBQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cartap hydrochloride
CAS: 15263-52-2
CID: 30913
Formula: C7H16ClN3O2S2
MW: 273.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass273.0372468
Monoisotopic Mass273.0372468
Topological Polar Surface Area140 Ų
Heavy Atom Count15
Formal Charge0
Complexity193
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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