3-sulfanylbenzenecarboximidamide

C7H8N2S — CID 69159686

IUPAC3-sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S)c1
InChIInChI=1S/C7H8N2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9)
InChIKeyDRQOUWDFQTUOIA-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.26
Rot. Bonds1

About 3-sulfanylbenzenecarboximidamide

3-sulfanylbenzenecarboximidamide (PubChem CID 69159686) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-sulfanylbenzenecarboximidamide
PubChem CID69159686
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name3-sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S)c1
InChIInChI=1S/C7H8N2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9)
InChIKeyDRQOUWDFQTUOIA-UHFFFAOYSA-N
XLogP1.26
TPSA49.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.26
H-Bond Donors ≤ 53
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

azanium 3-carbamimidoylbenzoate
CID 69273733
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
benzenecarboximidamide;sulfane
CID 172701796
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
benzenecarboximidamide;hydron;chloride
CID 66824376
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-butan-2-ylbenzenecarboximidamide
CID 129164232
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088

Frequently Asked Questions

What is the IUPAC name of 3-sulfanylbenzenecarboximidamide?
The IUPAC name of 3-sulfanylbenzenecarboximidamide (CID 69159686) is 3-sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-sulfanylbenzenecarboximidamide?
The canonical SMILES for 3-sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(S)c1.
What is the InChIKey of 3-sulfanylbenzenecarboximidamide?
The InChIKey is DRQOUWDFQTUOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9).
What are the key properties of 3-sulfanylbenzenecarboximidamide?
3-sulfanylbenzenecarboximidamide has a molecular weight of 152.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylbenzenecarboximidamide is sourced from PubChem (CID 69159686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).