3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide

C14H14N2OS — CID 174903596

IUPAC3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(OC)cc2)c1S
InChIInChI=1S/C14H14N2OS/c1-17-10-7-5-9(6-8-10)11-3-2-4-12(13(11)18)14(15)16/h2-8,18H,1H3,(H3,15,16)
InChIKeyBVAMFJNONFPGJW-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide

3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide (PubChem CID 174903596) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide
PubChem CID174903596
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(OC)cc2)c1S
InChIInChI=1S/C14H14N2OS/c1-17-10-7-5-9(6-8-10)11-3-2-4-12(13(11)18)14(15)16/h2-8,18H,1H3,(H3,15,16)
InChIKeyBVAMFJNONFPGJW-UHFFFAOYSA-N
XLogP2.93
TPSA59.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393
2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
CID 6345491
2-(4-methoxyanilino)benzenecarboximidamide;hydrochloride
CID 82253370
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
2-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 151769516
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide?
The IUPAC name of 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide (CID 174903596) is 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide?
The canonical SMILES for 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2ccc(OC)cc2)c1S.
What is the InChIKey of 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide?
The InChIKey is BVAMFJNONFPGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-17-10-7-5-9(6-8-10)11-3-2-4-12(13(11)18)14(15)16/h2-8,18H,1H3,(H3,15,16).
What are the key properties of 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide?
3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide has a molecular weight of 258.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide is sourced from PubChem (CID 174903596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).