CID 101380846

C20H23S3 — CID 101380846

IUPAC—
SMILESCCCCc1c(CCCC)c(=C2C=CC#S2)sc1=C1C=C[CH]S1
InChIInChI=1S/C20H23S3/c1-3-5-9-15-16(10-6-4-2)20(18-12-8-14-22-18)23-19(15)17-11-7-13-21-17/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyKDVAUIBXZPMCGN-UHFFFAOYSA-N
MW359.60 g/mol
LogP5.38
Rot. Bonds6

About CID 101380846

CID 101380846 (PubChem CID 101380846) has the molecular formula C20H23S3 and a molecular weight of 359.60 g/mol.

Molecular Properties

Compound NameCID 101380846
PubChem CID101380846
Molecular FormulaC20H23S3
Molecular Weight359.60 g/mol
Exact Mass359.10
IUPAC Name—
SMILESCCCCc1c(CCCC)c(=C2C=CC#S2)sc1=C1C=C[CH]S1
InChIInChI=1S/C20H23S3/c1-3-5-9-15-16(10-6-4-2)20(18-12-8-14-22-18)23-19(15)17-11-7-13-21-17/h7-8,11-13H,3-6,9-10H2,1-2H3
InChIKeyKDVAUIBXZPMCGN-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101380846?
The IUPAC name of CID 101380846 (CID 101380846) is not available.
What is the SMILES notation for CID 101380846?
The canonical SMILES for CID 101380846 is CCCCc1c(CCCC)c(=C2C=CC#S2)sc1=C1C=C[CH]S1.
What is the InChIKey of CID 101380846?
The InChIKey is KDVAUIBXZPMCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23S3/c1-3-5-9-15-16(10-6-4-2)20(18-12-8-14-22-18)23-19(15)17-11-7-13-21-17/h7-8,11-13H,3-6,9-10H2,1-2H3.
What are the key properties of CID 101380846?
CID 101380846 has a molecular weight of 359.60 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101380846 is sourced from PubChem (CID 101380846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).