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

C8H11NOS3 — CID 130736494

IUPAC1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CSCCS1
InChIInChI=1S/C8H11NOS3/c10-8(6-1-2-13-9-6)7-5-11-3-4-12-7/h1-2,7-8,10H,3-5H2
InChIKeyKGLXZPSMRPYAQZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.03
Rot. Bonds2

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

1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol (PubChem CID 130736494) has the molecular formula C8H11NOS3 and a molecular weight of 233.38 g/mol. Its IUPAC name is 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol
PubChem CID130736494
Molecular FormulaC8H11NOS3
Molecular Weight233.38 g/mol
Exact Mass233.00
IUPAC Name1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol
SMILESOC(c1ccsn1)C1CSCCS1
InChIInChI=1S/C8H11NOS3/c10-8(6-1-2-13-9-6)7-5-11-3-4-12-7/h1-2,7-8,10H,3-5H2
InChIKeyKGLXZPSMRPYAQZ-UHFFFAOYSA-N
XLogP2.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131067597
2,2-Difluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131096578
2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131163031
1-(Isothiazol-3-yl)ethanol
CID 19017861
4-Methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
CID 67596526
3-Chloro-1-(1,2-thiazol-3-yl)propan-1-ol
CID 69648256
3-Azido-1-(1,2-thiazol-3-yl)propan-1-ol
CID 91451221
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567

Frequently Asked Questions

What is the IUPAC name of 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol?
The IUPAC name of 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol (CID 130736494) is 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol?
The canonical SMILES for 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol is OC(c1ccsn1)C1CSCCS1.
What is the InChIKey of 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol?
The InChIKey is KGLXZPSMRPYAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS3/c10-8(6-1-2-13-9-6)7-5-11-3-4-12-7/h1-2,7-8,10H,3-5H2.
What are the key properties of 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol?
1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol has a molecular weight of 233.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithian-2-yl(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130736494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).