[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine

C13H20N2O2S — CID 105283171

IUPAC[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)C1CCCCS1(=O)=O
InChIInChI=1S/C13H20N2O2S/c14-15-12(10-11-6-2-1-3-7-11)13-8-4-5-9-18(13,16)17/h1-3,6-7,12-13,15H,4-5,8-10,14H2
InChIKeyHERGYVJYVFYRRO-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.03
Rot. Bonds4

About [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine

[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine (PubChem CID 105283171) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine
PubChem CID105283171
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)C1CCCCS1(=O)=O
InChIInChI=1S/C13H20N2O2S/c14-15-12(10-11-6-2-1-3-7-11)13-8-4-5-9-18(13,16)17/h1-3,6-7,12-13,15H,4-5,8-10,14H2
InChIKeyHERGYVJYVFYRRO-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)ethyl]hydrazine
CID 105283336
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 104519891
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
[1-(1,1-dioxothian-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105292010
1-(1,1-dioxothian-2-yl)-2-pyridin-4-ylethanamine
CID 104520115
2-(3-bromophenyl)-1-(1,1-dioxothian-2-yl)-N-ethylethanamine
CID 104519934
N-[1-(1,1-dioxothian-2-yl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115864313
[1-(1,1-dioxothian-2-yl)-2-ethoxyethyl]hydrazine
CID 105321290
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115865007
[1-(1,1-dioxothian-2-yl)-2-propoxyethyl]hydrazine
CID 105321488
2-(1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115823929

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine?
The IUPAC name of [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine (CID 105283171) is [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine.
What is the SMILES notation for [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine?
The canonical SMILES for [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine is NNC(Cc1ccccc1)C1CCCCS1(=O)=O.
What is the InChIKey of [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine?
The InChIKey is HERGYVJYVFYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-15-12(10-11-6-2-1-3-7-11)13-8-4-5-9-18(13,16)17/h1-3,6-7,12-13,15H,4-5,8-10,14H2.
What are the key properties of [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine?
[1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine has a molecular weight of 268.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-2-yl)-2-phenylethyl]hydrazine is sourced from PubChem (CID 105283171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).