4-methyl-2-sulfanylbenzenecarboximidamide

C8H10N2S — CID 142196477

IUPAC4-methyl-2-sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1S
InChIInChI=1S/C8H10N2S/c1-5-2-3-6(8(9)10)7(11)4-5/h2-4,11H,1H3,(H3,9,10)
InChIKeyNXTPLOWTHWGIEU-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.57
Rot. Bonds1

About 4-methyl-2-sulfanylbenzenecarboximidamide

4-methyl-2-sulfanylbenzenecarboximidamide (PubChem CID 142196477) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-methyl-2-sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-sulfanylbenzenecarboximidamide
PubChem CID142196477
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4-methyl-2-sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1S
InChIInChI=1S/C8H10N2S/c1-5-2-3-6(8(9)10)7(11)4-5/h2-4,11H,1H3,(H3,9,10)
InChIKeyNXTPLOWTHWGIEU-UHFFFAOYSA-N
XLogP1.57
TPSA49.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.57
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

2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-methyl-2-sulfanylbenzamide
CID 89156088
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 43320980
2,4-dimethylbenzenecarboximidamide;4-methylbenzenesulfonic acid
CID 87068938
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
2-[bis(2-hydroxyethyl)amino]-4-methylbenzenecarboximidamide
CID 62308815
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-sulfanylbenzenecarboximidamide?
The IUPAC name of 4-methyl-2-sulfanylbenzenecarboximidamide (CID 142196477) is 4-methyl-2-sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-methyl-2-sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1S.
What is the InChIKey of 4-methyl-2-sulfanylbenzenecarboximidamide?
The InChIKey is NXTPLOWTHWGIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-5-2-3-6(8(9)10)7(11)4-5/h2-4,11H,1H3,(H3,9,10).
What are the key properties of 4-methyl-2-sulfanylbenzenecarboximidamide?
4-methyl-2-sulfanylbenzenecarboximidamide has a molecular weight of 166.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-sulfanylbenzenecarboximidamide is sourced from PubChem (CID 142196477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).