CID 58174591

C9H12S — CID 58174591

IUPAC—
SMILES[CH]CSC1=C(C)CCC1=C
InChIInChI=1S/C9H12S/c1-4-10-9-7(2)5-6-8(9)3/h1H,2,4-6H2,3H3
InChIKeySACDPEKUVSRPIR-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.05
Rot. Bonds2

About CID 58174591

CID 58174591 (PubChem CID 58174591) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol.

Molecular Properties

Compound NameCID 58174591
PubChem CID58174591
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name—
SMILES[CH]CSC1=C(C)CCC1=C
InChIInChI=1S/C9H12S/c1-4-10-9-7(2)5-6-8(9)3/h1H,2,4-6H2,3H3
InChIKeySACDPEKUVSRPIR-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58174591?
The IUPAC name of CID 58174591 (CID 58174591) is not available.
What is the SMILES notation for CID 58174591?
The canonical SMILES for CID 58174591 is [CH]CSC1=C(C)CCC1=C.
What is the InChIKey of CID 58174591?
The InChIKey is SACDPEKUVSRPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-4-10-9-7(2)5-6-8(9)3/h1H,2,4-6H2,3H3.
What are the key properties of CID 58174591?
CID 58174591 has a molecular weight of 152.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58174591 is sourced from PubChem (CID 58174591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).