[(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine

C10H16N2S — CID 13403673

IUPAC[(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine
SMILESC[C@H](NN)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C10H16N2S/c1-8(12-11)9(2)13-10-6-4-3-5-7-10/h3-9,12H,11H2,1-2H3/t8-,9+/m0/s1
InChIKeyKDGBEAKSGDPHRZ-DTWKUNHWSA-N
MW196.32 g/mol
LogP2.02
Rot. Bonds4

About [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine

[(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine (PubChem CID 13403673) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine
PubChem CID13403673
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name[(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine
SMILESC[C@H](NN)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C10H16N2S/c1-8(12-11)9(2)13-10-6-4-3-5-7-10/h3-9,12H,11H2,1-2H3/t8-,9+/m0/s1
InChIKeyKDGBEAKSGDPHRZ-DTWKUNHWSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine?
The IUPAC name of [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine (CID 13403673) is [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine is C[C@H](NN)[C@@H](C)Sc1ccccc1.
What is the InChIKey of [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine?
The InChIKey is KDGBEAKSGDPHRZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8(12-11)9(2)13-10-6-4-3-5-7-10/h3-9,12H,11H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine?
[(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine has a molecular weight of 196.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 13403673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).