N'-phenyl-2-sulfanylethanimidamide

C8H10N2S — CID 88909295

IUPACN'-phenyl-2-sulfanylethanimidamide
SMILESN/C(CS)=N/c1ccccc1
InChIInChI=1S/C8H10N2S/c9-8(6-11)10-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
InChIKeyNSYBAAZDPNVSSG-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.61
Rot. Bonds2

About N'-phenyl-2-sulfanylethanimidamide

N'-phenyl-2-sulfanylethanimidamide (PubChem CID 88909295) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N'-phenyl-2-sulfanylethanimidamide.

Molecular Properties

Compound NameN'-phenyl-2-sulfanylethanimidamide
PubChem CID88909295
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC NameN'-phenyl-2-sulfanylethanimidamide
SMILESN/C(CS)=N/c1ccccc1
InChIInChI=1S/C8H10N2S/c9-8(6-11)10-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10)
InChIKeyNSYBAAZDPNVSSG-UHFFFAOYSA-N
XLogP1.61
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.61
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

Phenylbiguanide
CID 4780
N-Phenylguanidine
CID 16157
1-Phenylbiguanide monohydrochloride
CID 5932
S-Ethyl-N-Phenyl-Isothiourea
CID 347590
Guanidine, N-phenyl-, hydrochloride (1:1)
CID 12253676
4-(Phenylamino)-2(5H)-thiazolone
CID 135412584
S-ethyl-1-phenylisothiourea hydroiodide
CID 20226089
Acetamidine, N-p-tolyl-(6CI,8CI)
CID 203391
(1E)-N'-(4-Fluorophenyl)ethanimidamide
CID 13268358
2H-1,4-benzothiazin-3-amine
CID 820028
N-(3-Acetimidoylamino-phenyl)-acetamidine
CID 10831793
5-imino-N-phenyl-1,2,4-dithiazol-3-amine
CID 42383

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-2-sulfanylethanimidamide?
The IUPAC name of N'-phenyl-2-sulfanylethanimidamide (CID 88909295) is N'-phenyl-2-sulfanylethanimidamide.
What is the SMILES notation for N'-phenyl-2-sulfanylethanimidamide?
The canonical SMILES for N'-phenyl-2-sulfanylethanimidamide is N/C(CS)=N/c1ccccc1.
What is the InChIKey of N'-phenyl-2-sulfanylethanimidamide?
The InChIKey is NSYBAAZDPNVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c9-8(6-11)10-7-4-2-1-3-5-7/h1-5,11H,6H2,(H2,9,10).
What are the key properties of N'-phenyl-2-sulfanylethanimidamide?
N'-phenyl-2-sulfanylethanimidamide has a molecular weight of 166.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-2-sulfanylethanimidamide is sourced from PubChem (CID 88909295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).