3-chloro-4-propan-2-ylsulfanylpyridine

C8H10ClNS — CID 23436924

IUPAC3-chloro-4-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ccncc1Cl
InChIInChI=1S/C8H10ClNS/c1-6(2)11-8-3-4-10-5-7(8)9/h3-6H,1-2H3
InChIKeyADKPDMDLCTYBMQ-UHFFFAOYSA-N
MW187.70 g/mol
LogP3.24
Rot. Bonds2

About 3-chloro-4-propan-2-ylsulfanylpyridine

3-chloro-4-propan-2-ylsulfanylpyridine (PubChem CID 23436924) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is 3-chloro-4-propan-2-ylsulfanylpyridine.

Molecular Properties

Compound Name3-chloro-4-propan-2-ylsulfanylpyridine
PubChem CID23436924
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name3-chloro-4-propan-2-ylsulfanylpyridine
SMILESCC(C)Sc1ccncc1Cl
InChIInChI=1S/C8H10ClNS/c1-6(2)11-8-3-4-10-5-7(8)9/h3-6H,1-2H3
InChIKeyADKPDMDLCTYBMQ-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 79840245
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
(3-chloro-4-pyridinyl)sulfanylmethyl-diethoxyphosphane
CID 174288236
(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883
(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
4-[(3-chloro-4-pyridinyl)sulfanyl]-3,5-difluoroaniline
CID 79840737
3-chloro-4-(methylsulfanylmethyl)pyridine
CID 126992001
1,2-dichloro-4-propan-2-ylsulfanylbenzene
CID 59882028
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-propan-2-ylsulfanylpyridine?
The IUPAC name of 3-chloro-4-propan-2-ylsulfanylpyridine (CID 23436924) is 3-chloro-4-propan-2-ylsulfanylpyridine.
What is the SMILES notation for 3-chloro-4-propan-2-ylsulfanylpyridine?
The canonical SMILES for 3-chloro-4-propan-2-ylsulfanylpyridine is CC(C)Sc1ccncc1Cl.
What is the InChIKey of 3-chloro-4-propan-2-ylsulfanylpyridine?
The InChIKey is ADKPDMDLCTYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-6(2)11-8-3-4-10-5-7(8)9/h3-6H,1-2H3.
What are the key properties of 3-chloro-4-propan-2-ylsulfanylpyridine?
3-chloro-4-propan-2-ylsulfanylpyridine has a molecular weight of 187.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-propan-2-ylsulfanylpyridine is sourced from PubChem (CID 23436924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).