2-bromo-4-propylsulfanylbenzenecarboximidamide

C10H13BrN2S — CID 107279933

IUPAC2-bromo-4-propylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SCCC)cc1Br
InChIInChI=1S/C10H13BrN2S/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7/h3-4,6H,2,5H2,1H3,(H3,12,13)
InChIKeySFKANKOUHIYAIT-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.24
Rot. Bonds4

About 2-bromo-4-propylsulfanylbenzenecarboximidamide

2-bromo-4-propylsulfanylbenzenecarboximidamide (PubChem CID 107279933) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-bromo-4-propylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-propylsulfanylbenzenecarboximidamide
PubChem CID107279933
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name2-bromo-4-propylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SCCC)cc1Br
InChIInChI=1S/C10H13BrN2S/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7/h3-4,6H,2,5H2,1H3,(H3,12,13)
InChIKeySFKANKOUHIYAIT-UHFFFAOYSA-N
XLogP3.24
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.24
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'}

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Related Compounds

2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
CID 107279964
2-bromo-4-heptoxybenzenecarboximidamide
CID 107279546
2-bromo-4-octoxybenzenecarboximidamide
CID 107279553
2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)benzenecarboximidamide
CID 107279997
2-chloro-4-(3-hydroxypropylsulfanyl)benzenecarboximidamide
CID 66114956
5-tert-butylsulfanyl-2-propoxybenzenecarboximidamide
CID 21420428
2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide
CID 107279465
4-benzylsulfanyl-2-methylbenzenecarboximidamide
CID 81276349
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
4-hexylsulfanylbenzenecarboximidamide
CID 54310899
2-bromo-4,5-dimethoxybenzenecarboximidamide
CID 60926806
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-propylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-4-propylsulfanylbenzenecarboximidamide (CID 107279933) is 2-bromo-4-propylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-propylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-propylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(SCCC)cc1Br.
What is the InChIKey of 2-bromo-4-propylsulfanylbenzenecarboximidamide?
The InChIKey is SFKANKOUHIYAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c1-2-5-14-7-3-4-8(10(12)13)9(11)6-7/h3-4,6H,2,5H2,1H3,(H3,12,13).
What are the key properties of 2-bromo-4-propylsulfanylbenzenecarboximidamide?
2-bromo-4-propylsulfanylbenzenecarboximidamide has a molecular weight of 273.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-propylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 107279933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).