CID 173288093

C8H12NO3S3Sn — CID 173288093

IUPAC—
SMILESCC(N)CCC[Sn].O=C=S.O=C=S.O=C=S
InChIInChI=1S/C5H12N.3COS.Sn/c1-3-4-5(2)6;3*2-1-3;/h5H,1,3-4,6H2,2H3;;;;
InChIKeyPUMWNLYCDAGAOT-UHFFFAOYSA-N
MW385.10 g/mol
LogP1.45
Rot. Bonds3

About CID 173288093

CID 173288093 (PubChem CID 173288093) has the molecular formula C8H12NO3S3Sn and a molecular weight of 385.10 g/mol.

Molecular Properties

Compound NameCID 173288093
PubChem CID173288093
Molecular FormulaC8H12NO3S3Sn
Molecular Weight385.10 g/mol
Exact Mass385.90
IUPAC Name—
SMILESCC(N)CCC[Sn].O=C=S.O=C=S.O=C=S
InChIInChI=1S/C5H12N.3COS.Sn/c1-3-4-5(2)6;3*2-1-3;/h5H,1,3-4,6H2,2H3;;;;
InChIKeyPUMWNLYCDAGAOT-UHFFFAOYSA-N
XLogP1.45
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-tridecan-2-amine
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(2S)-tetradecan-2-amine
CID 25021238
4-aminopentane-1-thiol;ethane
CID 142392337
4-aminopentan-1-ol;hydrochloride
CID 75212867
decane-1,9-diamine
CID 23448369

Frequently Asked Questions

What is the IUPAC name of CID 173288093?
The IUPAC name of CID 173288093 (CID 173288093) is not available.
What is the SMILES notation for CID 173288093?
The canonical SMILES for CID 173288093 is CC(N)CCC[Sn].O=C=S.O=C=S.O=C=S.
What is the InChIKey of CID 173288093?
The InChIKey is PUMWNLYCDAGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N.3COS.Sn/c1-3-4-5(2)6;3*2-1-3;/h5H,1,3-4,6H2,2H3;;;;.
What are the key properties of CID 173288093?
CID 173288093 has a molecular weight of 385.10 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173288093 is sourced from PubChem (CID 173288093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).