tris(thian-3-yl)phosphane

C15H27PS3 — CID 171775205

IUPACtris(thian-3-yl)phosphane
SMILESC1CSCC(P(C2CCCSC2)C2CCCSC2)C1
InChIInChI=1S/C15H27PS3/c1-4-13(10-17-7-1)16(14-5-2-8-18-11-14)15-6-3-9-19-12-15/h13-15H,1-12H2
InChIKeyFBEVVRZGJRUQPX-UHFFFAOYSA-N
MW334.56 g/mol
LogP5.16
Rot. Bonds3

About tris(thian-3-yl)phosphane

tris(thian-3-yl)phosphane (PubChem CID 171775205) has the molecular formula C15H27PS3 and a molecular weight of 334.56 g/mol. Its IUPAC name is tris(thian-3-yl)phosphane.

Molecular Properties

Compound Nametris(thian-3-yl)phosphane
PubChem CID171775205
Molecular FormulaC15H27PS3
Molecular Weight334.56 g/mol
Exact Mass334.10
IUPAC Nametris(thian-3-yl)phosphane
SMILESC1CSCC(P(C2CCCSC2)C2CCCSC2)C1
InChIInChI=1S/C15H27PS3/c1-4-13(10-17-7-1)16(14-5-2-8-18-11-14)15-6-3-9-19-12-15/h13-15H,1-12H2
InChIKeyFBEVVRZGJRUQPX-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.56
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 11297590
CID 11297590
3-tert-butylthiane
CID 89424239
N-methylthian-3-amine;hydrochloride
CID 86811695
thian-3-ylmethanethiol
CID 83678909
2-(thian-3-yl)propan-2-amine
CID 82415632
2,2-difluoro-2-(thian-3-yl)ethanol
CID 105440136
thiepan-3-amine
CID 14594138
azetidin-3-yl(thian-3-yl)methanol
CID 130518351
4-(thian-3-yl)piperidine
CID 82602229

Frequently Asked Questions

What is the IUPAC name of tris(thian-3-yl)phosphane?
The IUPAC name of tris(thian-3-yl)phosphane (CID 171775205) is tris(thian-3-yl)phosphane.
What is the SMILES notation for tris(thian-3-yl)phosphane?
The canonical SMILES for tris(thian-3-yl)phosphane is C1CSCC(P(C2CCCSC2)C2CCCSC2)C1.
What is the InChIKey of tris(thian-3-yl)phosphane?
The InChIKey is FBEVVRZGJRUQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27PS3/c1-4-13(10-17-7-1)16(14-5-2-8-18-11-14)15-6-3-9-19-12-15/h13-15H,1-12H2.
What are the key properties of tris(thian-3-yl)phosphane?
tris(thian-3-yl)phosphane has a molecular weight of 334.56 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(thian-3-yl)phosphane is sourced from PubChem (CID 171775205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).