CID 139245906

C7H7OS — CID 139245906

IUPAC—
SMILESCOc1cccc([S])c1
InChIInChI=1S/C7H7OS/c1-8-6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKeyAICLZGWMZGNTJN-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.25
Rot. Bonds1

About CID 139245906

CID 139245906 (PubChem CID 139245906) has the molecular formula C7H7OS and a molecular weight of 139.20 g/mol.

Molecular Properties

Compound NameCID 139245906
PubChem CID139245906
Molecular FormulaC7H7OS
Molecular Weight139.20 g/mol
Exact Mass139.02
IUPAC Name—
SMILESCOc1cccc([S])c1
InChIInChI=1S/C7H7OS/c1-8-6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKeyAICLZGWMZGNTJN-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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carbanide;1,3-dimethoxybenzene;rubidium(1+)
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calcium;1,3-dimethoxybenzene;hydride
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CID 91359455
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CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-methoxy-N,N-disilylaniline
CID 149149494
CID 153354664
CID 153354664
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
CID 10458332
CID 10458332

Frequently Asked Questions

What is the IUPAC name of CID 139245906?
The IUPAC name of CID 139245906 (CID 139245906) is not available.
What is the SMILES notation for CID 139245906?
The canonical SMILES for CID 139245906 is COc1cccc([S])c1.
What is the InChIKey of CID 139245906?
The InChIKey is AICLZGWMZGNTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7OS/c1-8-6-3-2-4-7(9)5-6/h2-5H,1H3.
What are the key properties of CID 139245906?
CID 139245906 has a molecular weight of 139.20 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245906 is sourced from PubChem (CID 139245906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).