1-tert-butylsulfanyl-4-methoxy-2-methylbutane

C10H22OS — CID 143964698

IUPAC1-tert-butylsulfanyl-4-methoxy-2-methylbutane
SMILESCOCCC(C)CSC(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(6-7-11-5)8-12-10(2,3)4/h9H,6-8H2,1-5H3
InChIKeyWKTFXIHHMHDMHF-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.19
Rot. Bonds5

About 1-tert-butylsulfanyl-4-methoxy-2-methylbutane

1-tert-butylsulfanyl-4-methoxy-2-methylbutane (PubChem CID 143964698) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-4-methoxy-2-methylbutane.

Molecular Properties

Compound Name1-tert-butylsulfanyl-4-methoxy-2-methylbutane
PubChem CID143964698
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-tert-butylsulfanyl-4-methoxy-2-methylbutane
SMILESCOCCC(C)CSC(C)(C)C
InChIInChI=1S/C10H22OS/c1-9(6-7-11-5)8-12-10(2,3)4/h9H,6-8H2,1-5H3
InChIKeyWKTFXIHHMHDMHF-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Oxathiane, 2-ethyl-4,4-dimethyl-
CID 18539814
1-Butoxy-2-butylmercaptoethane
CID 86145645
i-Amyl xanthate
CID 100956838
2,5-Diisopropyl-1,3-oxathiane
CID 557698
(5R)-2,2-dimethyl-5-propan-2-yl-1,4-oxathiane
CID 10910079
1-[1-(2-Methylpropoxy)ethylsulfanyl]butane
CID 102336795
Butoxybutylmercaptoethane
CID 129809132
2,2-Dimethyl-5-isopropyl-1,3-oxathiane
CID 554385
1,3-Oxathiane, 5-isopropyl-2-methyl-
CID 557922
1,3-Oxathiane, 2-isopropyl-2-methyl-
CID 575852
(2S,5S)-2,5-diisopropyl-1,3-oxathiane
CID 643432
Vrfvbddezikqox-sfyzadrcsa-
CID 23240273

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-4-methoxy-2-methylbutane?
The IUPAC name of 1-tert-butylsulfanyl-4-methoxy-2-methylbutane (CID 143964698) is 1-tert-butylsulfanyl-4-methoxy-2-methylbutane.
What is the SMILES notation for 1-tert-butylsulfanyl-4-methoxy-2-methylbutane?
The canonical SMILES for 1-tert-butylsulfanyl-4-methoxy-2-methylbutane is COCCC(C)CSC(C)(C)C.
What is the InChIKey of 1-tert-butylsulfanyl-4-methoxy-2-methylbutane?
The InChIKey is WKTFXIHHMHDMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-9(6-7-11-5)8-12-10(2,3)4/h9H,6-8H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-4-methoxy-2-methylbutane?
1-tert-butylsulfanyl-4-methoxy-2-methylbutane has a molecular weight of 190.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-4-methoxy-2-methylbutane is sourced from PubChem (CID 143964698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).