2-methyl-2-propylsulfanylpropan-1-ol

C7H16OS — CID 116852243

IUPAC2-methyl-2-propylsulfanylpropan-1-ol
SMILESCCCSC(C)(C)CO
InChIInChI=1S/C7H16OS/c1-4-5-9-7(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyKHALPPOBIHIYSA-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-2-propylsulfanylpropan-1-ol

2-methyl-2-propylsulfanylpropan-1-ol (PubChem CID 116852243) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-methyl-2-propylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-propylsulfanylpropan-1-ol
PubChem CID116852243
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-methyl-2-propylsulfanylpropan-1-ol
SMILESCCCSC(C)(C)CO
InChIInChI=1S/C7H16OS/c1-4-5-9-7(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyKHALPPOBIHIYSA-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-propylsulfanylpropane-1,3-diol
CID 13136534
3-methyl-3-propylsulfanylbutanamide
CID 134505082
methyl 3-methyl-3-propylsulfanylbutanoate
CID 88577551
1-propylsulfanylpropane-1,1,2,2-tetrol
CID 54159409
2-methyl-2-propylsulfanyloctan-4-one
CID 88902576
4-butylsulfanyl-4-methylpentan-2-one
CID 3024239
2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol
CID 123332822
2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol
CID 130752179
2-hydroxy-2,2-bis(propylsulfanyl)acetic acid
CID 174776322
2-methyl-2-propylsulfanylpentanethioic S-acid
CID 88778175
ethanol;1-propylsulfanylpropane
CID 175163753
2-methyl-2-(2-propylsulfanylpropan-2-yloxysulfanyl)pentane
CID 155238043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylsulfanylpropan-1-ol?
The IUPAC name of 2-methyl-2-propylsulfanylpropan-1-ol (CID 116852243) is 2-methyl-2-propylsulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-propylsulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-2-propylsulfanylpropan-1-ol is CCCSC(C)(C)CO.
What is the InChIKey of 2-methyl-2-propylsulfanylpropan-1-ol?
The InChIKey is KHALPPOBIHIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-4-5-9-7(2,3)6-8/h8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-propylsulfanylpropan-1-ol?
2-methyl-2-propylsulfanylpropan-1-ol has a molecular weight of 148.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylsulfanylpropan-1-ol is sourced from PubChem (CID 116852243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).