(2S)-4-methylpentane-1,2-diol;sulfane

C6H16O2S — CID 159079830

IUPAC(2S)-4-methylpentane-1,2-diol;sulfane
SMILESCC(C)C[C@H](O)CO.S
InChIInChI=1S/C6H14O2.H2S/c1-5(2)3-6(8)4-7;/h5-8H,3-4H2,1-2H3;1H2/t6-;/m0./s1
InChIKeyKASFRBNKCRWNBK-RGMNGODLSA-N
MW152.26 g/mol
LogP0.50
Rot. Bonds3

About (2S)-4-methylpentane-1,2-diol;sulfane

(2S)-4-methylpentane-1,2-diol;sulfane (PubChem CID 159079830) has the molecular formula C6H16O2S and a molecular weight of 152.26 g/mol. Its IUPAC name is (2S)-4-methylpentane-1,2-diol;sulfane.

Molecular Properties

Compound Name(2S)-4-methylpentane-1,2-diol;sulfane
PubChem CID159079830
Molecular FormulaC6H16O2S
Molecular Weight152.26 g/mol
Exact Mass152.09
IUPAC Name(2S)-4-methylpentane-1,2-diol;sulfane
SMILESCC(C)C[C@H](O)CO.S
InChIInChI=1S/C6H14O2.H2S/c1-5(2)3-6(8)4-7;/h5-8H,3-4H2,1-2H3;1H2/t6-;/m0./s1
InChIKeyKASFRBNKCRWNBK-RGMNGODLSA-N
XLogP0.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-aminopentane-1,2-diol
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propane-1,2,3-triol;propan-2-ol;hydrochloride
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(4S)-6-methylheptane-1,4-diol
CID 88522325
(2S,4R)-2,4,6-trimethylheptan-1-ol
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(2S)-1-chloro-4-methylpentan-2-ol
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4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium
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methanethiol;propane-1,2,3-triol
CID 19920877

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylpentane-1,2-diol;sulfane?
The IUPAC name of (2S)-4-methylpentane-1,2-diol;sulfane (CID 159079830) is (2S)-4-methylpentane-1,2-diol;sulfane.
What is the SMILES notation for (2S)-4-methylpentane-1,2-diol;sulfane?
The canonical SMILES for (2S)-4-methylpentane-1,2-diol;sulfane is CC(C)C[C@H](O)CO.S.
What is the InChIKey of (2S)-4-methylpentane-1,2-diol;sulfane?
The InChIKey is KASFRBNKCRWNBK-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14O2.H2S/c1-5(2)3-6(8)4-7;/h5-8H,3-4H2,1-2H3;1H2/t6-;/m0./s1.
What are the key properties of (2S)-4-methylpentane-1,2-diol;sulfane?
(2S)-4-methylpentane-1,2-diol;sulfane has a molecular weight of 152.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylpentane-1,2-diol;sulfane is sourced from PubChem (CID 159079830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).