CID 139242697

C6H8S — CID 139242697

IUPAC—
SMILESCC1(C)[C]SC=C1
InChIInChI=1S/C6H8S/c1-6(2)3-4-7-5-6/h3-4H,1-2H3
InChIKeyVAQWZDUVDMHSHZ-UHFFFAOYSA-N
MW112.20 g/mol
LogP2.31
Rot. Bonds

About CID 139242697

CID 139242697 (PubChem CID 139242697) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol.

Molecular Properties

Compound NameCID 139242697
PubChem CID139242697
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name—
SMILESCC1(C)[C]SC=C1
InChIInChI=1S/C6H8S/c1-6(2)3-4-7-5-6/h3-4H,1-2H3
InChIKeyVAQWZDUVDMHSHZ-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 139242697?
The IUPAC name of CID 139242697 (CID 139242697) is not available.
What is the SMILES notation for CID 139242697?
The canonical SMILES for CID 139242697 is CC1(C)[C]SC=C1.
What is the InChIKey of CID 139242697?
The InChIKey is VAQWZDUVDMHSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S/c1-6(2)3-4-7-5-6/h3-4H,1-2H3.
What are the key properties of CID 139242697?
CID 139242697 has a molecular weight of 112.20 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139242697 is sourced from PubChem (CID 139242697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).