3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol

C7H10ClNOS2 — CID 83157118

IUPAC3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1nc(Cl)cs1
InChIInChI=1S/C7H10ClNOS2/c1-5(2-3-10)12-7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3
InChIKeyQTPXEFSXKQXOMW-UHFFFAOYSA-N
MW223.75 g/mol
LogP2.66
Rot. Bonds4

About 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol

3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 83157118) has the molecular formula C7H10ClNOS2 and a molecular weight of 223.75 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
PubChem CID83157118
Molecular FormulaC7H10ClNOS2
Molecular Weight223.75 g/mol
Exact Mass222.99
IUPAC Name3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1nc(Cl)cs1
InChIInChI=1S/C7H10ClNOS2/c1-5(2-3-10)12-7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3
InChIKeyQTPXEFSXKQXOMW-UHFFFAOYSA-N
XLogP2.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol (CID 83157118) is 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol is CC(CCO)Sc1nc(Cl)cs1.
What is the InChIKey of 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is QTPXEFSXKQXOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS2/c1-5(2-3-10)12-7-9-6(8)4-11-7/h4-5,10H,2-3H2,1H3.
What are the key properties of 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 223.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 83157118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).