3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol

C10H14ClNOS — CID 66105549

IUPAC3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1ccncc1Cl
InChIInChI=1S/C10H14ClNOS/c1-8(5-13)6-14-7-9-2-3-12-4-10(9)11/h2-4,8,13H,5-7H2,1H3
InChIKeyJEDGRFHENJDZFZ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.60
Rot. Bonds5

About 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol

3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol (PubChem CID 66105549) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol
PubChem CID66105549
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSCc1ccncc1Cl
InChIInChI=1S/C10H14ClNOS/c1-8(5-13)6-14-7-9-2-3-12-4-10(9)11/h2-4,8,13H,5-7H2,1H3
InChIKeyJEDGRFHENJDZFZ-UHFFFAOYSA-N
XLogP2.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 79840245
3-[(3-chloro-4-pyridinyl)methylsulfanyl]butan-1-ol
CID 66138366
3-chloro-4-(methylsulfanylmethyl)pyridine
CID 126992001
3-[(2-chloro-5-fluorophenyl)methylsulfanyl]-2-methylpropan-1-ol
CID 102604918
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
methyl 3-[(3-chloro-4-pyridinyl)methylsulfanyl]butanoate
CID 66114393
3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 66104771
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
CID 83152349

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol (CID 66105549) is 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol is CC(CO)CSCc1ccncc1Cl.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol?
The InChIKey is JEDGRFHENJDZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-8(5-13)6-14-7-9-2-3-12-4-10(9)11/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol?
3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol has a molecular weight of 231.75 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)methylsulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66105549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).