CID 11826183

C8H7S — CID 11826183

IUPAC—
SMILESC[C]1[CH][C]2C=CS[C]2[CH]1
InChIInChI=1S/C8H7S/c1-6-4-7-2-3-9-8(7)5-6/h2-5H,1H3
InChIKeySEJYJKBGACYYSN-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.37
Rot. Bonds

About CID 11826183

CID 11826183 (PubChem CID 11826183) has the molecular formula C8H7S and a molecular weight of 135.21 g/mol.

Molecular Properties

Compound NameCID 11826183
PubChem CID11826183
Molecular FormulaC8H7S
Molecular Weight135.21 g/mol
Exact Mass135.03
IUPAC Name—
SMILESC[C]1[CH][C]2C=CS[C]2[CH]1
InChIInChI=1S/C8H7S/c1-6-4-7-2-3-9-8(7)5-6/h2-5H,1H3
InChIKeySEJYJKBGACYYSN-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 11826183?
The IUPAC name of CID 11826183 (CID 11826183) is not available.
What is the SMILES notation for CID 11826183?
The canonical SMILES for CID 11826183 is C[C]1[CH][C]2C=CS[C]2[CH]1.
What is the InChIKey of CID 11826183?
The InChIKey is SEJYJKBGACYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7S/c1-6-4-7-2-3-9-8(7)5-6/h2-5H,1H3.
What are the key properties of CID 11826183?
CID 11826183 has a molecular weight of 135.21 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11826183 is sourced from PubChem (CID 11826183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).