CID 174716298

C19H31SSn — CID 174716298

IUPAC—
SMILESCCCCc1ccc(C(S)[Sn])c(CCCC)c1CCCC
InChIInChI=1S/C19H31S.Sn/c1-4-7-10-16-13-14-17(15-20)19(12-9-6-3)18(16)11-8-5-2;/h13-15,20H,4-12H2,1-3H3;
InChIKeyRKDCNOZFVQYCCK-UHFFFAOYSA-N
MW410.24 g/mol
LogP5.81
Rot. Bonds10

About CID 174716298

CID 174716298 (PubChem CID 174716298) has the molecular formula C19H31SSn and a molecular weight of 410.24 g/mol.

Molecular Properties

Compound NameCID 174716298
PubChem CID174716298
Molecular FormulaC19H31SSn
Molecular Weight410.24 g/mol
Exact Mass411.12
IUPAC Name—
SMILESCCCCc1ccc(C(S)[Sn])c(CCCC)c1CCCC
InChIInChI=1S/C19H31S.Sn/c1-4-7-10-16-13-14-17(15-20)19(12-9-6-3)18(16)11-8-5-2;/h13-15,20H,4-12H2,1-3H3;
InChIKeyRKDCNOZFVQYCCK-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.24
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tris(2,3,4-tributylphenyl) borate
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Frequently Asked Questions

What is the IUPAC name of CID 174716298?
The IUPAC name of CID 174716298 (CID 174716298) is not available.
What is the SMILES notation for CID 174716298?
The canonical SMILES for CID 174716298 is CCCCc1ccc(C(S)[Sn])c(CCCC)c1CCCC.
What is the InChIKey of CID 174716298?
The InChIKey is RKDCNOZFVQYCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31S.Sn/c1-4-7-10-16-13-14-17(15-20)19(12-9-6-3)18(16)11-8-5-2;/h13-15,20H,4-12H2,1-3H3;.
What are the key properties of CID 174716298?
CID 174716298 has a molecular weight of 410.24 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174716298 is sourced from PubChem (CID 174716298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).