CID 170679388

CH4OSSn- — CID 170679388

IUPAC—
SMILESC[Sn]=O.[SH-]
InChIInChI=1S/CH3.O.H2S.Sn/h1H3;;1H2;/p-1
InChIKeyKYJMOPKCPOTNNY-UHFFFAOYSA-M
MW182.82 g/mol
LogP-0.19
Rot. Bonds

About CID 170679388

CID 170679388 (PubChem CID 170679388) has the molecular formula CH4OSSn- and a molecular weight of 182.82 g/mol.

Molecular Properties

Compound NameCID 170679388
PubChem CID170679388
Molecular FormulaCH4OSSn-
Molecular Weight182.82 g/mol
Exact Mass183.90
IUPAC Name—
SMILESC[Sn]=O.[SH-]
InChIInChI=1S/CH3.O.H2S.Sn/h1H3;;1H2;/p-1
InChIKeyKYJMOPKCPOTNNY-UHFFFAOYSA-M
XLogP-0.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.82
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 170679388?
The IUPAC name of CID 170679388 (CID 170679388) is not available.
What is the SMILES notation for CID 170679388?
The canonical SMILES for CID 170679388 is C[Sn]=O.[SH-].
What is the InChIKey of CID 170679388?
The InChIKey is KYJMOPKCPOTNNY-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3.O.H2S.Sn/h1H3;;1H2;/p-1.
What are the key properties of CID 170679388?
CID 170679388 has a molecular weight of 182.82 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170679388 is sourced from PubChem (CID 170679388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).