CID 131886792

C6H11NNaOS2 — CID 131886792

IUPAC—
SMILESOC1CCN(C(=S)S)CC1.[Na]
InChIInChI=1S/C6H11NOS2.Na/c8-5-1-3-7(4-2-5)6(9)10;/h5,8H,1-4H2,(H,9,10);
InChIKeyDJBJXCNAUDQLJP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.28
Rot. Bonds

About CID 131886792

CID 131886792 (PubChem CID 131886792) has the molecular formula C6H11NNaOS2 and a molecular weight of 200.28 g/mol.

Molecular Properties

Compound NameCID 131886792
PubChem CID131886792
Molecular FormulaC6H11NNaOS2
Molecular Weight200.28 g/mol
Exact Mass200.02
IUPAC Name—
SMILESOC1CCN(C(=S)S)CC1.[Na]
InChIInChI=1S/C6H11NOS2.Na/c8-5-1-3-7(4-2-5)6(9)10;/h5,8H,1-4H2,(H,9,10);
InChIKeyDJBJXCNAUDQLJP-UHFFFAOYSA-N
XLogP0.28
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxypiperidine-1-carbodithioate
CID 90477064
diazanium;4-[3-(1-dithiocarboxypiperidin-4-yl)propyl]piperidine-1-carbodithioic acid
CID 126960093
sodium pyrrolidine-1-carbodithioic acid
CID 54605882
bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid
CID 174724747
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde
CID 21030955
N'-amino-4-hydroxypiperidine-1-carboximidamide
CID 77054111
(E)-2-cyano-3-(4-hydroxypiperidin-1-yl)but-2-enethioamide
CID 87799042
4-hydroxypiperidine-1-carboximidate
CID 145177948
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
CID 942767
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200

Frequently Asked Questions

What is the IUPAC name of CID 131886792?
The IUPAC name of CID 131886792 (CID 131886792) is not available.
What is the SMILES notation for CID 131886792?
The canonical SMILES for CID 131886792 is OC1CCN(C(=S)S)CC1.[Na].
What is the InChIKey of CID 131886792?
The InChIKey is DJBJXCNAUDQLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2.Na/c8-5-1-3-7(4-2-5)6(9)10;/h5,8H,1-4H2,(H,9,10);.
What are the key properties of CID 131886792?
CID 131886792 has a molecular weight of 200.28 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131886792 is sourced from PubChem (CID 131886792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).