(4-methylphenyl) carbamimidothioate;hydrochloride

C8H11ClN2S — CID 167442713

IUPAC(4-methylphenyl) carbamimidothioate;hydrochloride
SMILESCl.[H]/N=C(\N)Sc1ccc(C)cc1
InChIInChI=1S/C8H10N2S.ClH/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKeyZLOAUMXUHHSSDJ-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.40
Rot. Bonds1

About (4-methylphenyl) carbamimidothioate;hydrochloride

(4-methylphenyl) carbamimidothioate;hydrochloride (PubChem CID 167442713) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is (4-methylphenyl) carbamimidothioate;hydrochloride.

Molecular Properties

Compound Name(4-methylphenyl) carbamimidothioate;hydrochloride
PubChem CID167442713
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name(4-methylphenyl) carbamimidothioate;hydrochloride
SMILESCl.[H]/N=C(\N)Sc1ccc(C)cc1
InChIInChI=1S/C8H10N2S.ClH/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKeyZLOAUMXUHHSSDJ-UHFFFAOYSA-N
XLogP2.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl carbamimidothioate;hydrochloride
CID 12526770
(3,4-dihydroxyphenyl) carbamimidothioate
CID 5268842
(3-carbamimidoylsulfanylphenyl) carbamimidothioate;dihydroiodide
CID 67542569
1-carbamimidoyl-1-(4-methylphenyl)guanidine;hydrochloride
CID 3027696
(4-methylphenyl) carbamimidate
CID 44562278
1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiol
CID 76564021
carbamimidoyl (1E)-4-methyl-N-(1,2,2-trichloroethenyl)benzenecarboximidothioate
CID 11836528
2-(4-methylphenyl)sulfanylprop-2-enamide
CID 70098228
(2-carbamimidoylsulfanylphenyl) carbamimidothioate;dihydroiodide
CID 68874096
(3-methyl-2-pyridinyl) carbamimidothioate
CID 155230564
2-(4-methylphenyl)sulfonylethyl carbamimidothioate
CID 3105261
3-(4-methylphenyl)propanimidamide;hydrochloride
CID 69159205

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) carbamimidothioate;hydrochloride?
The IUPAC name of (4-methylphenyl) carbamimidothioate;hydrochloride (CID 167442713) is (4-methylphenyl) carbamimidothioate;hydrochloride.
What is the SMILES notation for (4-methylphenyl) carbamimidothioate;hydrochloride?
The canonical SMILES for (4-methylphenyl) carbamimidothioate;hydrochloride is Cl.[H]/N=C(\N)Sc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) carbamimidothioate;hydrochloride?
The InChIKey is ZLOAUMXUHHSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S.ClH/c1-6-2-4-7(5-3-6)11-8(9)10;/h2-5H,1H3,(H3,9,10);1H.
What are the key properties of (4-methylphenyl) carbamimidothioate;hydrochloride?
(4-methylphenyl) carbamimidothioate;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) carbamimidothioate;hydrochloride is sourced from PubChem (CID 167442713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).