1-methoxy-3,5-dimethylbenzene;sulfane

C9H14OS — CID 175727345

IUPAC1-methoxy-3,5-dimethylbenzene;sulfane
SMILESCOc1cc(C)cc(C)c1.S
InChIInChI=1S/C9H12O.H2S/c1-7-4-8(2)6-9(5-7)10-3;/h4-6H,1-3H3;1H2
InChIKeyDLRMODHJWJTETQ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.42
Rot. Bonds1

About 1-methoxy-3,5-dimethylbenzene;sulfane

1-methoxy-3,5-dimethylbenzene;sulfane (PubChem CID 175727345) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-methoxy-3,5-dimethylbenzene;sulfane.

Molecular Properties

Compound Name1-methoxy-3,5-dimethylbenzene;sulfane
PubChem CID175727345
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-methoxy-3,5-dimethylbenzene;sulfane
SMILESCOc1cc(C)cc(C)c1.S
InChIInChI=1S/C9H12O.H2S/c1-7-4-8(2)6-9(5-7)10-3;/h4-6H,1-3H3;1H2
InChIKeyDLRMODHJWJTETQ-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfuryl dichloride
CID 87072267
3-methoxy-5-methylbenzenethiol
CID 22504719
(3-methoxy-5-methylphenyl)-methyloxidanium
CID 143118319
(3-methoxy-5-methylphenyl)-methyl-oxoazanium
CID 123749235
ethane;1-methoxy-3-methyl-5-methylsulfanylbenzene
CID 143780161
phosphane;1,3,5-trimethoxybenzene
CID 175232895
2-tert-butyl-5-methoxy-7-methylazulene
CID 165372127
boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)
CID 175358132
ditert-butyl-(3-methoxy-5-methylphenyl)phosphane
CID 118501545
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
1-methoxy-3-methyl-5-[(Z)-prop-1-enyl]benzene
CID 89073542

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,5-dimethylbenzene;sulfane?
The IUPAC name of 1-methoxy-3,5-dimethylbenzene;sulfane (CID 175727345) is 1-methoxy-3,5-dimethylbenzene;sulfane.
What is the SMILES notation for 1-methoxy-3,5-dimethylbenzene;sulfane?
The canonical SMILES for 1-methoxy-3,5-dimethylbenzene;sulfane is COc1cc(C)cc(C)c1.S.
What is the InChIKey of 1-methoxy-3,5-dimethylbenzene;sulfane?
The InChIKey is DLRMODHJWJTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.H2S/c1-7-4-8(2)6-9(5-7)10-3;/h4-6H,1-3H3;1H2.
What are the key properties of 1-methoxy-3,5-dimethylbenzene;sulfane?
1-methoxy-3,5-dimethylbenzene;sulfane has a molecular weight of 170.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,5-dimethylbenzene;sulfane is sourced from PubChem (CID 175727345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).