CID 174587481

C22H31SSn — CID 174587481

IUPAC—
SMILESCCCCc1sc(-c2cccc([Sn])c2)c(CCCC)c1CCCC
InChIInChI=1S/C22H31S.Sn/c1-4-7-15-19-20(16-8-5-2)22(18-13-11-10-12-14-18)23-21(19)17-9-6-3;/h10-11,13-14H,4-9,15-17H2,1-3H3;
InChIKeyKTWSFYUHGSEXBD-UHFFFAOYSA-N
MW446.27 g/mol
LogP6.24
Rot. Bonds10

About CID 174587481

CID 174587481 (PubChem CID 174587481) has the molecular formula C22H31SSn and a molecular weight of 446.27 g/mol.

Molecular Properties

Compound NameCID 174587481
PubChem CID174587481
Molecular FormulaC22H31SSn
Molecular Weight446.27 g/mol
Exact Mass447.12
IUPAC Name—
SMILESCCCCc1sc(-c2cccc([Sn])c2)c(CCCC)c1CCCC
InChIInChI=1S/C22H31S.Sn/c1-4-7-15-19-20(16-8-5-2)22(18-13-11-10-12-14-18)23-21(19)17-9-6-3;/h10-11,13-14H,4-9,15-17H2,1-3H3;
InChIKeyKTWSFYUHGSEXBD-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.27
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 174587481?
The IUPAC name of CID 174587481 (CID 174587481) is not available.
What is the SMILES notation for CID 174587481?
The canonical SMILES for CID 174587481 is CCCCc1sc(-c2cccc([Sn])c2)c(CCCC)c1CCCC.
What is the InChIKey of CID 174587481?
The InChIKey is KTWSFYUHGSEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31S.Sn/c1-4-7-15-19-20(16-8-5-2)22(18-13-11-10-12-14-18)23-21(19)17-9-6-3;/h10-11,13-14H,4-9,15-17H2,1-3H3;.
What are the key properties of CID 174587481?
CID 174587481 has a molecular weight of 446.27 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174587481 is sourced from PubChem (CID 174587481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).