CID 173142066

C3H6NOSTe — CID 173142066

IUPAC—
SMILESCOC(=S)N(C)[Te]
InChIInChI=1S/C3H6NOSTe/c1-4(7)3(6)5-2/h1-2H3
InChIKeyFTEMLTWJKWIIGT-UHFFFAOYSA-N
MW231.75 g/mol
LogP-0.07
Rot. Bonds

About CID 173142066

CID 173142066 (PubChem CID 173142066) has the molecular formula C3H6NOSTe and a molecular weight of 231.75 g/mol.

Molecular Properties

Compound NameCID 173142066
PubChem CID173142066
Molecular FormulaC3H6NOSTe
Molecular Weight231.75 g/mol
Exact Mass233.92
IUPAC Name—
SMILESCOC(=S)N(C)[Te]
InChIInChI=1S/C3H6NOSTe/c1-4(7)3(6)5-2/h1-2H3
InChIKeyFTEMLTWJKWIIGT-UHFFFAOYSA-N
XLogP-0.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-methyl N-chloro-N-methylcarbamothioate
CID 88140396
O-methyl N-methyl-N-tellanylcarbamothioate
CID 174509847

Frequently Asked Questions

What is the IUPAC name of CID 173142066?
The IUPAC name of CID 173142066 (CID 173142066) is not available.
What is the SMILES notation for CID 173142066?
The canonical SMILES for CID 173142066 is COC(=S)N(C)[Te].
What is the InChIKey of CID 173142066?
The InChIKey is FTEMLTWJKWIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NOSTe/c1-4(7)3(6)5-2/h1-2H3.
What are the key properties of CID 173142066?
CID 173142066 has a molecular weight of 231.75 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173142066 is sourced from PubChem (CID 173142066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).