[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine

C14H21ClN2S — CID 105283379

IUPAC[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)CC1CCSCC1
InChIInChI=1S/C14H21ClN2S/c15-13-3-1-11(2-4-13)9-14(17-16)10-12-5-7-18-8-6-12/h1-4,12,14,17H,5-10,16H2
InChIKeyMFJQCRPTRJCWAZ-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.25
Rot. Bonds5

About [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine

[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine (PubChem CID 105283379) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine
PubChem CID105283379
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)CC1CCSCC1
InChIInChI=1S/C14H21ClN2S/c15-13-3-1-11(2-4-13)9-14(17-16)10-12-5-7-18-8-6-12/h1-4,12,14,17H,5-10,16H2
InChIKeyMFJQCRPTRJCWAZ-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105085436
[1-(4-chlorophenyl)-4-cyclopropylbutan-2-yl]hydrazine
CID 105197715
[1-cyclobutyl-3-(3,4-difluorophenyl)propan-2-yl]hydrazine
CID 105310203
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
[1-(furan-2-yl)-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105331670
1-(4-chlorophenyl)-N-(thian-4-ylmethyl)propan-2-amine
CID 103910777
[1-cyclohexyl-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105296302
[1-(thian-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105292785
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
[1-(3,4-difluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105298960
(1-cyclobutyl-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105310141

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine (CID 105283379) is [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine is NNC(Cc1ccc(Cl)cc1)CC1CCSCC1.
What is the InChIKey of [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine?
The InChIKey is MFJQCRPTRJCWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c15-13-3-1-11(2-4-13)9-14(17-16)10-12-5-7-18-8-6-12/h1-4,12,14,17H,5-10,16H2.
What are the key properties of [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine?
[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine has a molecular weight of 284.86 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105283379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).