General Information of the Compound
| Compound ID |
CP0678207
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| Compound Name |
S-(4-Nitrobenzyl)isothiourea hydrochloride
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| Synonyms |
2-(p-Nitrobenzyl)-2-thiopseudourea monohydrochloride
4-Nitrobenzyl thiopseudourea hydrochloride
4-nitrobenzyl carbamimidothioate hydrochloride(1:1)
4-nitrobenzyl imidothiocarbamate hydrochloride
4357-96-4
AC1L2UEL
AC1Q38L0
AC1Q3CS0
CHEMBL1224396
CTK8F6192
EN300-31371
NSC 114527
NSC 3850
Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride
Pseudourea, 2-(p-nitrobenzyl)thio-, hydrochloride
S-(4-Nitrobenzyl)isothiourea hydrochloride
SCHEMBL5220646
USAF PD-23
WLN: MUYZS1R DNW &
{[(4-nitrophenyl)methyl]sulfanyl}methanimidamide hydrochloride
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| Structure |
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| Formula |
C8H10ClN3O2S
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| Molecular Weight |
247.707
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| Canonical SMILES |
Cl.N=C(N)SCc1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C8H9N3O2S.ClH/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H
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| InChIKey |
XLXMUFLBCRDKMJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound