2-(4-hydroxythian-3-yl)acetohydrazide

C7H14N2O2S — CID 130123705

IUPAC2-(4-hydroxythian-3-yl)acetohydrazide
SMILESNNC(=O)CC1CSCCC1O
InChIInChI=1S/C7H14N2O2S/c8-9-7(11)3-5-4-12-2-1-6(5)10/h5-6,10H,1-4,8H2,(H,9,11)
InChIKeyIMVJOHGSJUACQR-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.52
Rot. Bonds2

About 2-(4-hydroxythian-3-yl)acetohydrazide

2-(4-hydroxythian-3-yl)acetohydrazide (PubChem CID 130123705) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(4-hydroxythian-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-hydroxythian-3-yl)acetohydrazide
PubChem CID130123705
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name2-(4-hydroxythian-3-yl)acetohydrazide
SMILESNNC(=O)CC1CSCCC1O
InChIInChI=1S/C7H14N2O2S/c8-9-7(11)3-5-4-12-2-1-6(5)10/h5-6,10H,1-4,8H2,(H,9,11)
InChIKeyIMVJOHGSJUACQR-UHFFFAOYSA-N
XLogP-0.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-(2-hydroxycycloheptyl)acetohydrazide
CID 130147718
(3R,4S)-3-ethylthian-4-ol
CID 13081675
2-[(3R,4S)-3-hydroxythian-4-yl]acetic acid
CID 96630079
(3S,4S)-3-propylthian-4-ol
CID 101042409
methyl 2-[(3R,4S)-4-aminothian-3-yl]acetate
CID 105443914
2-[(1R,2S)-2-methoxycyclohexyl]acetohydrazide
CID 97035443
2-[4-(2-hydrazinyl-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 21178486
1-(4-hydroxythiolan-3-yl)propan-2-one
CID 115012609
2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetohydrazide
CID 7296014
methyl 2-(3-aminothian-4-yl)acetate
CID 84662262
1-(3-aminothian-4-yl)propan-2-one
CID 115014220
N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 64911749

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxythian-3-yl)acetohydrazide?
The IUPAC name of 2-(4-hydroxythian-3-yl)acetohydrazide (CID 130123705) is 2-(4-hydroxythian-3-yl)acetohydrazide.
What is the SMILES notation for 2-(4-hydroxythian-3-yl)acetohydrazide?
The canonical SMILES for 2-(4-hydroxythian-3-yl)acetohydrazide is NNC(=O)CC1CSCCC1O.
What is the InChIKey of 2-(4-hydroxythian-3-yl)acetohydrazide?
The InChIKey is IMVJOHGSJUACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c8-9-7(11)3-5-4-12-2-1-6(5)10/h5-6,10H,1-4,8H2,(H,9,11).
What are the key properties of 2-(4-hydroxythian-3-yl)acetohydrazide?
2-(4-hydroxythian-3-yl)acetohydrazide has a molecular weight of 190.27 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxythian-3-yl)acetohydrazide is sourced from PubChem (CID 130123705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).