N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide

C8H10ClN3S — CID 66144390

IUPACN'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
SMILESN/N=C(/N)CSc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3S/c9-6-1-3-7(4-2-6)13-5-8(10)12-11/h1-4H,5,11H2,(H2,10,12)
InChIKeyQGNDCUHUFDJUSZ-UHFFFAOYSA-N
MW215.71 g/mol
LogP1.66
Rot. Bonds3

About N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide

N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide (PubChem CID 66144390) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide.

Molecular Properties

Compound NameN'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
PubChem CID66144390
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC NameN'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
SMILESN/N=C(/N)CSc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN3S/c9-6-1-3-7(4-2-6)13-5-8(10)12-11/h1-4H,5,11H2,(H2,10,12)
InChIKeyQGNDCUHUFDJUSZ-UHFFFAOYSA-N
XLogP1.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide
CID 66144205
N'-amino-2-(2-chlorophenyl)sulfanylethanimidamide
CID 77113318
1-(4-chlorophenyl)sulfanylpentan-2-one
CID 62041671
(Z)-4-(4-chlorophenyl)sulfanyl-3-fluorobut-2-en-1-amine
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3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173298807
(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine
CID 6283022
1-chloro-4-ethylsulfanylbenzene
CID 5324154
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
N-(2-amino-2-ethylbutyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 119642078
2-(4-chlorophenyl)sulfanyl-N-(trifluoromethylsulfonyl)acetamide
CID 154309569
3-(4-chlorophenyl)sulfanylpropan-1-amine;hydrochloride
CID 13018772

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide?
The IUPAC name of N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide (CID 66144390) is N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide.
What is the SMILES notation for N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide?
The canonical SMILES for N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide is N/N=C(/N)CSc1ccc(Cl)cc1.
What is the InChIKey of N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide?
The InChIKey is QGNDCUHUFDJUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c9-6-1-3-7(4-2-6)13-5-8(10)12-11/h1-4H,5,11H2,(H2,10,12).
What are the key properties of N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide?
N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide has a molecular weight of 215.71 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide is sourced from PubChem (CID 66144390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).