Isothioureas

Description:

Organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl).

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  1. Isothiuronium
    CAS: 22584-04-9 EC Number: EINECS 245-108-0 Formula: C12H25IN2S Molecular Weight: 356.310
    Out of Stock Item #: I983511
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    Technical Identifiers
    IUPAC Name
    undec-10-enyl carbamimidothioate;hydroiodide
    SMILES
    C=CCCCCCCCCCSC(=N)N.I
    InChIKey
    INDZTCRIYSRWOH-UHFFFAOYSA-N
    InChI
    1S/C12H24N2S.HI/c1-2-3-4-5-6-7-8-9-10-11-15-12(13)14;/h2H,1,3-11H2,(H3,13,14);1H
  2. Propyl carbamimidothioate
    CAS: 2986-21-2 Formula: C4H10N2S Molecular Weight: 118.2
    Out of Stock Item #: P668030
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    Technical Identifiers
    IUPAC Name
    propyl carbamimidothioate
    SMILES
    CCCSC(=N)N
    InChIKey
    JKHAGQZCIAFTOX-UHFFFAOYSA-N
    InChI
    1S/C4H10N2S/c1-2-3-7-4(5)6/h2-3H2,1H3,(H3,5,6)
    Synonyms
    propyl carbamimidothioate | 2-Propyl-isothiourea | DTXSID401312139 | BDBM50271829 | STL483836 | AKOS013362488
  3. s-Ethylisothiourea
    CAS: 2986-20-1 PubChem CID: 5139 Formula: C3H8N2S Molecular Weight: 104.18
    Out of Stock Item #: S667817
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    Technical Identifiers
    IUPAC Name
    ethyl carbamimidothioate
    SMILES
    CCSC(=N)N
    InChIKey
    VFIZBHJTOHUOEK-UHFFFAOYSA-N
    InChI
    1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
    Synonyms
    s-ethylisothiourea | etiron | 2-Ethyl-2-thiopseudourea | ethyron | ethyl carbamimidothioate | ETHYLISOTHIOUREA | Carb...
  4. Tert-butyl carbamimidothioate
    CAS: 926-07-8 Formula: C5H12N2S Molecular Weight: 132.23
    Out of Stock Item #: T668722
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    IUPAC Name
    tert-butyl carbamimidothioate
    SMILES
    CC(C)(C)SC(=N)N
    InChIKey
    HQYFXUNMHLTGCN-UHFFFAOYSA-N
    InChI
    1S/C5H12N2S/c1-5(2,3)8-4(6)7/h1-3H3,(H3,6,7)
    Synonyms
    tert-butyl carbamimidothioate | 2-tert-Butyl-isothiourea | DTXSID20383524 | (tert-butylsulfanyl)methanimidamide | BDB...
  5. S-Isopropyl-isothiourea
    CAS: 6913-17-3 PubChem CID: 445319 Formula: C4H10N2S Molecular Weight: 118.2
    Out of Stock Item #: S668288
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    Technical Identifiers
    IUPAC Name
    propan-2-yl carbamimidothioate
    SMILES
    CC(C)SC(=N)N
    InChIKey
    XSSNABKEYXKKMK-UHFFFAOYSA-N
    InChI
    1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)
    Synonyms
    S-ISOPROPYL-ISOTHIOUREA | 2-Isopropyl-isothiourea | Isopropyl carbamimidothioate | propan-2-yl carbamimidothioate | T...
  6. 2-methylisothiourea
    CAS: 2986-19-8 Formula: C2H6N2S Molecular Weight: 90.15
    Solid ≥97%
    Out of Stock Item #: M633551
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    IUPAC Name
    methyl carbamimidothioate
    SMILES
    CSC(=N)N
    InChIKey
    SDDKIZNHOCEXTF-UHFFFAOYSA-N
    InChI
    1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
    Synonyms
    SR-01000075165 | methyl carbamimidothioate | S-Methylthiopseudouronium iodide | 2-Methylisothio urea | BDBM50055282 |...
  7. dimaprit
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: D609896
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    Technical Identifiers
    IUPAC Name
    3-dimethylaminopropylsulfanylmethanimidamide
    SMILES
    CN(CCCSC(=N)N)C
    InChIKey
    OLHQOJYVQUNWPL-UHFFFAOYSA-N
    InChI
    1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
    Synonyms
    3-dimethylaminopropylsulfanylmethanimidamide | NCGC00016775-03 | [3-(carbamimidoylsulfanyl)propyl]dimethylamine | CAS...
  8. VUF 8430
    CAS: 98021-17-1 PubChem CID: 3063228
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: V614821
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    Technical Identifiers
    IUPAC Name
    2-(diaminomethylideneamino)ethylsulfanylmethanimidamide
    SMILES
    NC(=N)SCCN=C(N)N
    InChIKey
    GSYGTVNTZHFQQH-UHFFFAOYSA-N
    InChI
    1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
    Synonyms
    VUF8430 | VUF-8430 | 2-carbamimidamidoethylsulfanylmethanimidamide | ([2-[(Diaminomethylidene)amino]ethyl]sulfanyl)me...
  9. 1,2-Dimethyl-2-thiopseudourea hydriodide
    CAS: 41306-45-0 Formula: CH3SC(=NH)NHCH3 · HI Molecular Weight: 232.09
    Out of Stock Item #: D472446
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    Technical Identifiers
    IUPAC Name
    methyl N'-methylcarbamimidothioate;hydroiodide
    SMILES
    CN=C(N)SC.I
    InChIKey
    UDUMWDDMSHXGGQ-UHFFFAOYSA-N
    InChI
    1S/C3H8N2S.HI/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
    Synonyms
    AKOS015899551 | methyl N'-methylcarbamimidothioate;hydroiodide | 1,2-Dimethyl-2-thiopseudourea hydriodide | AT32120 |...
  10. Kevetrin hydrochloride
    CAS: 66592-89-0 Formula: C5H9N3S · HCl Molecular Weight: 179.67
    10mM in DMSO
    In Stock Item #: K425351
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    IUPAC Name
    3-cyanopropyl carbamimidothioate;hydrochloride
    SMILES
    C(CC#N)CSC(=N)N.Cl
    InChIKey
    NCXJZJFDQMKRKM-UHFFFAOYSA-N
    InChI
    1S/C5H9N3S.ClH/c6-3-1-2-4-9-5(7)8;/h1-2,4H2,(H3,7,8);1H
    Synonyms
    Carbamimidothioic acid, 3-cyanopropyl ester, monohydrochloride | EX-A627 | AS-71143 | s5811 | 66592-89-0 (HCl) | HY-1...
  11. Kevetrin hydrochloride
    CAS: 66592-89-0 Formula: C5H9N3S · HCl Molecular Weight: 179.67
    In Stock Item #: K413339
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    Technical Identifiers
    IUPAC Name
    3-cyanopropyl carbamimidothioate;hydrochloride
    SMILES
    C(CC#N)CSC(=N)N.Cl
    InChIKey
    NCXJZJFDQMKRKM-UHFFFAOYSA-N
    InChI
    1S/C5H9N3S.ClH/c6-3-1-2-4-9-5(7)8;/h1-2,4H2,(H3,7,8);1H
    Synonyms
    Carbamimidothioic acid, 3-cyanopropyl ester, monohydrochloride | EX-A627 | AS-71143 | s5811 | 66592-89-0 (HCl) | HY-1...
  12. Dimaprit dihydrochloride
    CAS: 23256-33-9 EC Number: 636-597-5 PubChem CID: 90045 Formula: C6H15N3S.2HCl Molecular Weight: 234.19
    In Stock Item #: D275181
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    Technical Identifiers
    IUPAC Name
    3-(dimethylamino)propyl carbamimidothioate;dihydrochloride
    SMILES
    CN(C)CCCSC(=N)N.Cl.Cl
    InChIKey
    DFWCPLGXFMSUCW-UHFFFAOYSA-N
    InChI
    1S/C6H15N3S.2ClH/c1-9(2)4-3-5-10-6(7)8;;/h3-5H2,1-2H3,(H3,7,8);2*1H
    Synonyms
    SR-01000597945-2 | Dimaprit dihydrochloride, >=98% (NMR) | 2-(3-Dimethylaminopropyl)-2-thiopseudourea dihydrochloride...
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