2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol

C8H11ClOS2 — CID 116852280

IUPAC2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS2/c1-8(2,5-10)12-7-4-3-6(9)11-7/h3-4,10H,5H2,1-2H3
InChIKeyQXUXGHNSNKSUMJ-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.26
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol

2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 116852280) has the molecular formula C8H11ClOS2 and a molecular weight of 222.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID116852280
Molecular FormulaC8H11ClOS2
Molecular Weight222.76 g/mol
Exact Mass221.99
IUPAC Name2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS2/c1-8(2,5-10)12-7-4-3-6(9)11-7/h3-4,10H,5H2,1-2H3
InChIKeyQXUXGHNSNKSUMJ-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate
CID 11715914
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
2-chloro-5-ethylsulfanylthiophene
CID 55269590
2-chloro-5-(ethyldisulfanyl)thiophene
CID 91117303
S-(5-chlorothiophen-2-yl)thiohydroxylamine
CID 88928706
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
2-[(3-amino-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 130752156
(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246493
methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate
CID 117033998
2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 116852254
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
CID 116852358

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol (CID 116852280) is 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol is CC(C)(CO)Sc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is QXUXGHNSNKSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS2/c1-8(2,5-10)12-7-4-3-6(9)11-7/h3-4,10H,5H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol?
2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 222.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 116852280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).