(2R)-2-hydroxysulfanylbutane

C4H10OS — CID 142533001

IUPAC(2R)-2-hydroxysulfanylbutane
SMILESCC[C@@H](C)SO
InChIInChI=1S/C4H10OS/c1-3-4(2)6-5/h4-5H,3H2,1-2H3/t4-/m1/s1
InChIKeySYBNZUYJTRPMSX-SCSAIBSYSA-N
MW106.19 g/mol
LogP1.99
Rot. Bonds2

About (2R)-2-hydroxysulfanylbutane

(2R)-2-hydroxysulfanylbutane (PubChem CID 142533001) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is (2R)-2-hydroxysulfanylbutane.

Molecular Properties

Compound Name(2R)-2-hydroxysulfanylbutane
PubChem CID142533001
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name(2R)-2-hydroxysulfanylbutane
SMILESCC[C@@H](C)SO
InChIInChI=1S/C4H10OS/c1-3-4(2)6-5/h4-5H,3H2,1-2H3/t4-/m1/s1
InChIKeySYBNZUYJTRPMSX-SCSAIBSYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
2-butan-2-ylsulfanylselanylsulfanylbutane
CID 15832557
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
2-ethylsulfanylbutane
CID 521270
2-(butan-2-ylhexasulfanyl)butane
CID 102352533
2-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
2-(fluoromethylsulfanyl)butane
CID 139914131
1-butan-2-ylsulfanylbutane
CID 525455
4-(butan-2-yldisulfanyl)pentan-2-one
CID 162715141
butan-2-yl thiohypochlorite;carbamic acid
CID 88674015
2-(2-bromoprop-2-enylsulfanyl)butane
CID 130647369

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxysulfanylbutane?
The IUPAC name of (2R)-2-hydroxysulfanylbutane (CID 142533001) is (2R)-2-hydroxysulfanylbutane.
What is the SMILES notation for (2R)-2-hydroxysulfanylbutane?
The canonical SMILES for (2R)-2-hydroxysulfanylbutane is CC[C@@H](C)SO.
What is the InChIKey of (2R)-2-hydroxysulfanylbutane?
The InChIKey is SYBNZUYJTRPMSX-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H10OS/c1-3-4(2)6-5/h4-5H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-2-hydroxysulfanylbutane?
(2R)-2-hydroxysulfanylbutane has a molecular weight of 106.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxysulfanylbutane is sourced from PubChem (CID 142533001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).