N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride

C8H10Cl2N2S — CID 21328978

IUPACN'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride
SMILESCl.N/C(CS)=N/c1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2S.ClH/c9-6-2-1-3-7(4-6)11-8(10)5-12;/h1-4,12H,5H2,(H2,10,11);1H
InChIKeyXOGKDXHPNSLQAS-UHFFFAOYSA-N
MW237.15 g/mol
LogP2.68
Rot. Bonds2

About N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride

N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride (PubChem CID 21328978) has the molecular formula C8H10Cl2N2S and a molecular weight of 237.15 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride
PubChem CID21328978
Molecular FormulaC8H10Cl2N2S
Molecular Weight237.15 g/mol
Exact Mass235.99
IUPAC NameN'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride
SMILESCl.N/C(CS)=N/c1cccc(Cl)c1
InChIInChI=1S/C8H9ClN2S.ClH/c9-6-2-1-3-7(4-6)11-8(10)5-12;/h1-4,12H,5H2,(H2,10,11);1H
InChIKeyXOGKDXHPNSLQAS-UHFFFAOYSA-N
XLogP2.68
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 52.68
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
CID 67032180
N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
CID 63178650
N'-(3-chlorophenyl)pyrrolidine-1-carboximidamide
CID 89339520
1,3-dichlorobenzene;guanidine
CID 174959611
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
CID 169369579
N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
CID 131233186
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
1,3-dichlorobenzene;sulfanol
CID 174381890
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
2-(2-bromoethyl)-1-cyanoguanidine;2-(3-chlorophenyl)-1-cyanoguanidine
CID 157305592
2-(3-chloroanilino)-N'-hydroxyethanimidamide;dihydrochloride
CID 159447915

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride?
The IUPAC name of N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride (CID 21328978) is N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride.
What is the SMILES notation for N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride?
The canonical SMILES for N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride is Cl.N/C(CS)=N/c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride?
The InChIKey is XOGKDXHPNSLQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S.ClH/c9-6-2-1-3-7(4-6)11-8(10)5-12;/h1-4,12H,5H2,(H2,10,11);1H.
What are the key properties of N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride?
N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride has a molecular weight of 237.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-2-sulfanylethanimidamide;hydrochloride is sourced from PubChem (CID 21328978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).