3-phenylsulfanylbutanehydrazide

C10H14N2OS — CID 63582257

IUPAC3-phenylsulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1ccccc1
InChIInChI=1S/C10H14N2OS/c1-8(7-10(13)12-11)14-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13)
InChIKeyXFRKUBIQPIWLQR-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.55
Rot. Bonds4

About 3-phenylsulfanylbutanehydrazide

3-phenylsulfanylbutanehydrazide (PubChem CID 63582257) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-phenylsulfanylbutanehydrazide.

Molecular Properties

Compound Name3-phenylsulfanylbutanehydrazide
PubChem CID63582257
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-phenylsulfanylbutanehydrazide
SMILESCC(CC(=O)NN)Sc1ccccc1
InChIInChI=1S/C10H14N2OS/c1-8(7-10(13)12-11)14-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13)
InChIKeyXFRKUBIQPIWLQR-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
CID 63591345
methyl 3-phenylsulfanylbutanoate
CID 10750953
5-phenylsulfanylhexan-3-one
CID 11275800
methyl 2-oxo-4-phenylsulfanylpentanoate
CID 10889971
2-phenylsulfanylpropyl acetate
CID 15563434
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
2-phenylsulfanylacetohydrazide
CID 7037418
3-phenylsulfanylbutanimidamide
CID 60915236
3-pyrimidin-4-ylsulfanylbutanehydrazide
CID 63696626
4-amino-N-(2-phenylsulfanylpropyl)butanamide
CID 119335487
(2R)-2-amino-N-(2-phenylsulfanylpropyl)propanamide;hydrochloride
CID 119335478
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylbutanehydrazide?
The IUPAC name of 3-phenylsulfanylbutanehydrazide (CID 63582257) is 3-phenylsulfanylbutanehydrazide.
What is the SMILES notation for 3-phenylsulfanylbutanehydrazide?
The canonical SMILES for 3-phenylsulfanylbutanehydrazide is CC(CC(=O)NN)Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanylbutanehydrazide?
The InChIKey is XFRKUBIQPIWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8(7-10(13)12-11)14-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13).
What are the key properties of 3-phenylsulfanylbutanehydrazide?
3-phenylsulfanylbutanehydrazide has a molecular weight of 210.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylbutanehydrazide is sourced from PubChem (CID 63582257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).