benzenecarboximidamide;sulfane

C7H10N2S — CID 172701796

IUPACbenzenecarboximidamide;sulfane
SMILESS.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.H2S/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H2
InChIKeyDBDYRIFULUUDBF-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.08
Rot. Bonds1

About benzenecarboximidamide;sulfane

benzenecarboximidamide;sulfane (PubChem CID 172701796) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is benzenecarboximidamide;sulfane.

Molecular Properties

Compound Namebenzenecarboximidamide;sulfane
PubChem CID172701796
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Namebenzenecarboximidamide;sulfane
SMILESS.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C7H8N2.H2S/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H2
InChIKeyDBDYRIFULUUDBF-UHFFFAOYSA-N
XLogP1.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

benzenecarboximidamide;hydron;chloride
CID 66824376
benzenecarboximidamide;toluene
CID 158219006
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
benzenecarboximidamide;1H-pyrrole
CID 158593667
trisodium;benzenecarboximidamide;phosphate
CID 23196456
benzenecarboximidamide;propanoic acid
CID 159833627
ethane;4-phenylbenzenecarboximidamide
CID 91221015
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
borinine-4-carboximidamide
CID 141334946
3-sulfanylbenzenecarboximidamide
CID 69159686
4-aminobenzenecarboximidamide;ethane
CID 142339418

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;sulfane?
The IUPAC name of benzenecarboximidamide;sulfane (CID 172701796) is benzenecarboximidamide;sulfane.
What is the SMILES notation for benzenecarboximidamide;sulfane?
The canonical SMILES for benzenecarboximidamide;sulfane is S.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;sulfane?
The InChIKey is DBDYRIFULUUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.H2S/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H2.
What are the key properties of benzenecarboximidamide;sulfane?
benzenecarboximidamide;sulfane has a molecular weight of 154.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;sulfane is sourced from PubChem (CID 172701796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).