N-(3-chlorophenyl)sulfanylmethanamine;ethane

C9H14ClNS — CID 143025296

IUPACN-(3-chlorophenyl)sulfanylmethanamine;ethane
SMILESCC.CNSc1cccc(Cl)c1
InChIInChI=1S/C7H8ClNS.C2H6/c1-9-10-7-4-2-3-6(8)5-7;1-2/h2-5,9H,1H3;1-2H3
InChIKeyZPJMDHNQDDFQRT-UHFFFAOYSA-N
MW203.74 g/mol
LogP3.59
Rot. Bonds2

About N-(3-chlorophenyl)sulfanylmethanamine;ethane

N-(3-chlorophenyl)sulfanylmethanamine;ethane (PubChem CID 143025296) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfanylmethanamine;ethane.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfanylmethanamine;ethane
PubChem CID143025296
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC NameN-(3-chlorophenyl)sulfanylmethanamine;ethane
SMILESCC.CNSc1cccc(Cl)c1
InChIInChI=1S/C7H8ClNS.C2H6/c1-9-10-7-4-2-3-6(8)5-7;1-2/h2-5,9H,1H3;1-2H3
InChIKeyZPJMDHNQDDFQRT-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)sulfanyl-N-methylaniline
CID 117033156
2-[(3-chlorophenyl)sulfanylamino]-2-methylpropanal
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1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
2-(3-chlorophenyl)sulfanylpropan-2-amine
CID 117032547
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
CID 64807962
tris(1-chloro-3-methylbenzene);ethane
CID 143147725
1-chloro-3-methylbenzene;ethane
CID 123907748

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfanylmethanamine;ethane?
The IUPAC name of N-(3-chlorophenyl)sulfanylmethanamine;ethane (CID 143025296) is N-(3-chlorophenyl)sulfanylmethanamine;ethane.
What is the SMILES notation for N-(3-chlorophenyl)sulfanylmethanamine;ethane?
The canonical SMILES for N-(3-chlorophenyl)sulfanylmethanamine;ethane is CC.CNSc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfanylmethanamine;ethane?
The InChIKey is ZPJMDHNQDDFQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS.C2H6/c1-9-10-7-4-2-3-6(8)5-7;1-2/h2-5,9H,1H3;1-2H3.
What are the key properties of N-(3-chlorophenyl)sulfanylmethanamine;ethane?
N-(3-chlorophenyl)sulfanylmethanamine;ethane has a molecular weight of 203.74 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfanylmethanamine;ethane is sourced from PubChem (CID 143025296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).