1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol

C9H20O3S2 — CID 15219075

IUPAC1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol
SMILESCC(O)CSCC(O)CSCC(C)O
InChIInChI=1S/C9H20O3S2/c1-7(10)3-13-5-9(12)6-14-4-8(2)11/h7-12H,3-6H2,1-2H3
InChIKeyRTIBKFGIPPSDIH-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.58
Rot. Bonds8

About 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol

1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol (PubChem CID 15219075) has the molecular formula C9H20O3S2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol
PubChem CID15219075
Molecular FormulaC9H20O3S2
Molecular Weight240.39 g/mol
Exact Mass240.09
IUPAC Name1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol
SMILESCC(O)CSCC(O)CSCC(C)O
InChIInChI=1S/C9H20O3S2/c1-7(10)3-13-5-9(12)6-14-4-8(2)11/h7-12H,3-6H2,1-2H3
InChIKeyRTIBKFGIPPSDIH-UHFFFAOYSA-N
XLogP0.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol?
The IUPAC name of 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol (CID 15219075) is 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol?
The canonical SMILES for 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol is CC(O)CSCC(O)CSCC(C)O.
What is the InChIKey of 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol?
The InChIKey is RTIBKFGIPPSDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S2/c1-7(10)3-13-5-9(12)6-14-4-8(2)11/h7-12H,3-6H2,1-2H3.
What are the key properties of 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol?
1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxypropylsulfanyl)propan-2-ol is sourced from PubChem (CID 15219075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).