(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol

C9H11ClOS3 — CID 107359583

IUPAC(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol
SMILESOC(c1sccc1Cl)C1CSCCS1
InChIInChI=1S/C9H11ClOS3/c10-6-1-2-14-9(6)8(11)7-5-12-3-4-13-7/h1-2,7-8,11H,3-5H2
InChIKeyFDRANTJNSGQDJS-UHFFFAOYSA-N
MW266.84 g/mol
LogP3.28
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol

(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol (PubChem CID 107359583) has the molecular formula C9H11ClOS3 and a molecular weight of 266.84 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol
PubChem CID107359583
Molecular FormulaC9H11ClOS3
Molecular Weight266.84 g/mol
Exact Mass265.97
IUPAC Name(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol
SMILESOC(c1sccc1Cl)C1CSCCS1
InChIInChI=1S/C9H11ClOS3/c10-6-1-2-14-9(6)8(11)7-5-12-3-4-13-7/h1-2,7-8,11H,3-5H2
InChIKeyFDRANTJNSGQDJS-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dithian-2-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650935
(4-chloro-3-methoxyphenyl)-(1,4-dithian-2-yl)methanol
CID 79971926
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249432
(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanone
CID 107359400
1,4-dithian-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 79972080
(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol
CID 79973241
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
CID 83148451
1,4-dithian-2-yl-(3-methoxyphenyl)methanol
CID 79972446
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
1,4-dithian-2-yl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130905277

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol?
The IUPAC name of (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol (CID 107359583) is (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol is OC(c1sccc1Cl)C1CSCCS1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol?
The InChIKey is FDRANTJNSGQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS3/c10-6-1-2-14-9(6)8(11)7-5-12-3-4-13-7/h1-2,7-8,11H,3-5H2.
What are the key properties of (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol?
(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol has a molecular weight of 266.84 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol is sourced from PubChem (CID 107359583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).