(2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol

C9H20OS — CID 131231524

IUPAC(2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)SC(C)(C)C
InChIInChI=1S/C9H20OS/c1-7(2)8(6-10)11-9(3,4)5/h7-8,10H,6H2,1-5H3/t8-/m0/s1
InChIKeyDDJWPNXVJXTICN-QMMMGPOBSA-N
MW176.32 g/mol
LogP2.54
Rot. Bonds3

About (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol

(2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol (PubChem CID 131231524) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol
PubChem CID131231524
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name(2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)SC(C)(C)C
InChIInChI=1S/C9H20OS/c1-7(2)8(6-10)11-9(3,4)5/h7-8,10H,6H2,1-5H3/t8-/m0/s1
InChIKeyDDJWPNXVJXTICN-QMMMGPOBSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiolan-3-ylmethanol
CID 20624486
3-(Tert-butylsulfanyl)propan-1-ol
CID 12300962
Hydroxy-butyl sulfide
CID 14717696
2,2'-((2-Methylbutane-1,4-diyl)bis(thio))bisethanol
CID 44148449
4-(Butylsulfanyl)butan-1-ol
CID 220051
4-(Tert-butylsulfanyl)butan-1-ol
CID 253476
1-Tert-butylsulfanylbutan-2-ol
CID 546549
2-Pentanol, 1-t-butylthio-
CID 546590
2-(2-Methyl-1,3-dithian-2-yl)propan-1-ol
CID 13497632
(2S)-3,4-dimethylthiolan-2-ol
CID 123988402
3,7-Dimethyl-5-thianonan-2,8-diol
CID 129773569
(3S)-3-(1,3-dithian-2-yl)butan-1-ol
CID 641992

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol (CID 131231524) is (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol is CC(C)[C@H](CO)SC(C)(C)C.
What is the InChIKey of (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol?
The InChIKey is DDJWPNXVJXTICN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20OS/c1-7(2)8(6-10)11-9(3,4)5/h7-8,10H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol?
(2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol has a molecular weight of 176.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butylsulfanyl-3-methylbutan-1-ol is sourced from PubChem (CID 131231524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).