[4-(propylamino)phenyl] thiohypochlorite

C9H12ClNS — CID 176938204

IUPAC[4-(propylamino)phenyl] thiohypochlorite
SMILESCCCNc1ccc(SCl)cc1
InChIInChI=1S/C9H12ClNS/c1-2-7-11-8-3-5-9(12-10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyWQWQAMKBVDMABV-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.75
Rot. Bonds4

About [4-(propylamino)phenyl] thiohypochlorite

[4-(propylamino)phenyl] thiohypochlorite (PubChem CID 176938204) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is [4-(propylamino)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-(propylamino)phenyl] thiohypochlorite
PubChem CID176938204
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name[4-(propylamino)phenyl] thiohypochlorite
SMILESCCCNc1ccc(SCl)cc1
InChIInChI=1S/C9H12ClNS/c1-2-7-11-8-3-5-9(12-10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyWQWQAMKBVDMABV-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propylaniline
CID 12153
[4-(propylamino)phenyl]methanol
CID 82668177
1-[4-(propylamino)phenyl]ethanone
CID 7304598
[4-(propylamino)phenyl]phosphonic acid
CID 3029986
[4-(propylamino)phenyl]urea
CID 43745026
N-octyl-4-octylsulfanylaniline;hydrochloride
CID 45049675
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
2-chloro-4-N-propylbenzene-1,4-diamine
CID 144516176
N'-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 15686149
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N'-(4-ethylsulfanylphenyl)propane-1,3-diamine
CID 98783323
4-[2,3-difluoro-4-(4-methylphenyl)phenyl]-N-propylaniline
CID 129140693

Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)phenyl] thiohypochlorite?
The IUPAC name of [4-(propylamino)phenyl] thiohypochlorite (CID 176938204) is [4-(propylamino)phenyl] thiohypochlorite.
What is the SMILES notation for [4-(propylamino)phenyl] thiohypochlorite?
The canonical SMILES for [4-(propylamino)phenyl] thiohypochlorite is CCCNc1ccc(SCl)cc1.
What is the InChIKey of [4-(propylamino)phenyl] thiohypochlorite?
The InChIKey is WQWQAMKBVDMABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-2-7-11-8-3-5-9(12-10)6-4-8/h3-6,11H,2,7H2,1H3.
What are the key properties of [4-(propylamino)phenyl] thiohypochlorite?
[4-(propylamino)phenyl] thiohypochlorite has a molecular weight of 201.72 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)phenyl] thiohypochlorite is sourced from PubChem (CID 176938204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).