3-phenylpropan-1-ol;sulfane;1,3-thiazole

C12H17NOS2 — CID 174985501

IUPAC3-phenylpropan-1-ol;sulfane;1,3-thiazole
SMILESOCCCc1ccccc1.S.c1cscn1
InChIInChI=1S/C9H12O.C3H3NS.H2S/c10-8-4-7-9-5-2-1-3-6-9;1-2-5-3-4-1;/h1-3,5-6,10H,4,7-8H2;1-3H;1H2
InChIKeyOZJCZGHSEBDQOK-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.87
Rot. Bonds3

About 3-phenylpropan-1-ol;sulfane;1,3-thiazole

3-phenylpropan-1-ol;sulfane;1,3-thiazole (PubChem CID 174985501) has the molecular formula C12H17NOS2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-phenylpropan-1-ol;sulfane;1,3-thiazole.

Molecular Properties

Compound Name3-phenylpropan-1-ol;sulfane;1,3-thiazole
PubChem CID174985501
Molecular FormulaC12H17NOS2
Molecular Weight255.41 g/mol
Exact Mass255.08
IUPAC Name3-phenylpropan-1-ol;sulfane;1,3-thiazole
SMILESOCCCc1ccccc1.S.c1cscn1
InChIInChI=1S/C9H12O.C3H3NS.H2S/c10-8-4-7-9-5-2-1-3-6-9;1-2-5-3-4-1;/h1-3,5-6,10H,4,7-8H2;1-3H;1H2
InChIKeyOZJCZGHSEBDQOK-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpropan-1-ol;sulfane;1,3-thiazole?
The IUPAC name of 3-phenylpropan-1-ol;sulfane;1,3-thiazole (CID 174985501) is 3-phenylpropan-1-ol;sulfane;1,3-thiazole.
What is the SMILES notation for 3-phenylpropan-1-ol;sulfane;1,3-thiazole?
The canonical SMILES for 3-phenylpropan-1-ol;sulfane;1,3-thiazole is OCCCc1ccccc1.S.c1cscn1.
What is the InChIKey of 3-phenylpropan-1-ol;sulfane;1,3-thiazole?
The InChIKey is OZJCZGHSEBDQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C3H3NS.H2S/c10-8-4-7-9-5-2-1-3-6-9;1-2-5-3-4-1;/h1-3,5-6,10H,4,7-8H2;1-3H;1H2.
What are the key properties of 3-phenylpropan-1-ol;sulfane;1,3-thiazole?
3-phenylpropan-1-ol;sulfane;1,3-thiazole has a molecular weight of 255.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropan-1-ol;sulfane;1,3-thiazole is sourced from PubChem (CID 174985501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).