(2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol

C10H22OS — CID 54286759

IUPAC(2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol
SMILESCCC(C)[C@@H](CO)SC(C)(C)C
InChIInChI=1S/C10H22OS/c1-6-8(2)9(7-11)12-10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8?,9-/m1/s1
InChIKeyRUQOHACNPDZYMW-YGPZHTELSA-N
MW190.35 g/mol
LogP2.93
Rot. Bonds4

About (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol

(2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol (PubChem CID 54286759) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol
PubChem CID54286759
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name(2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol
SMILESCCC(C)[C@@H](CO)SC(C)(C)C
InChIInChI=1S/C10H22OS/c1-6-8(2)9(7-11)12-10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8?,9-/m1/s1
InChIKeyRUQOHACNPDZYMW-YGPZHTELSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-Hydroxy-4,4-dimethylpentyl)sulfanyl-2,2-dimethylpentan-1-ol
CID 9835008
4-(Tert-butylsulfanyl)butan-1-ol
CID 253476
1-Pentanol, 5-(ethylthio)-
CID 554416
(2S)-2-methyl-3-(2-methyl-1,3-dithian-2-yl)propan-1-ol
CID 12000580
1-Ethylthiopentanol
CID 129767131
3-[(Methylsulfanyl)methyl]hexan-2-ol
CID 138402886
2-(1S,2S-Dimethyl-4-hydroxybutyl)-1,3-dithiane
CID 91710611
5-Tert-butylsulfanylpentan-1-ol
CID 12300963
1-Hexanol, 6-[(1,1-dimethylethyl)thio]-
CID 12300964
2-(2-Methylpentylsulfanyl)ethanol
CID 13879803
3-Tert-butylsulfanylbutan-1-ol
CID 14940664
1-(1-Hydroxypentylsulfanyl)pentan-1-ol
CID 19078211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol?
The IUPAC name of (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol (CID 54286759) is (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol?
The canonical SMILES for (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol is CCC(C)[C@@H](CO)SC(C)(C)C.
What is the InChIKey of (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol?
The InChIKey is RUQOHACNPDZYMW-YGPZHTELSA-N. The full InChI is InChI=1S/C10H22OS/c1-6-8(2)9(7-11)12-10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8?,9-/m1/s1.
What are the key properties of (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol?
(2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol has a molecular weight of 190.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butylsulfanyl-3-methylpentan-1-ol is sourced from PubChem (CID 54286759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).