[3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane

C18H32P2S2 — CID 139188732

IUPAC[3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane
SMILESCC(C)P(Sc1cccc(SP(C(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C18H32P2S2/c1-13(2)19(14(3)4)21-17-10-9-11-18(12-17)22-20(15(5)6)16(7)8/h9-16H,1-8H3
InChIKeyGRIIGSXZIMXZDI-UHFFFAOYSA-N
MW374.54 g/mol
LogP8.30
Rot. Bonds8

About [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane

[3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane (PubChem CID 139188732) has the molecular formula C18H32P2S2 and a molecular weight of 374.54 g/mol. Its IUPAC name is [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane
PubChem CID139188732
Molecular FormulaC18H32P2S2
Molecular Weight374.54 g/mol
Exact Mass374.14
IUPAC Name[3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane
SMILESCC(C)P(Sc1cccc(SP(C(C)C)C(C)C)c1)C(C)C
InChIInChI=1S/C18H32P2S2/c1-13(2)19(14(3)4)21-17-10-9-11-18(12-17)22-20(15(5)6)16(7)8/h9-16H,1-8H3
InChIKeyGRIIGSXZIMXZDI-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-methylsulfanylethylsulfanyl)benzene
CID 174193646
N-butan-2-yl-3-methylsulfanylaniline
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1,3-bis(hydroxysulfanyl)benzene
CID 102321523
(3-pentan-2-ylsulfanylphenyl)methanol
CID 107887985
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
1-methylsulfanyl-3-(methylsulfanylmethylsulfanyl)benzene
CID 177473442
triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
CID 174730774
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
1-butan-2-ylsulfanyl-3-fluorobenzene
CID 131103530
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042

Frequently Asked Questions

What is the IUPAC name of [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane?
The IUPAC name of [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane (CID 139188732) is [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane.
What is the SMILES notation for [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane?
The canonical SMILES for [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane is CC(C)P(Sc1cccc(SP(C(C)C)C(C)C)c1)C(C)C.
What is the InChIKey of [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane?
The InChIKey is GRIIGSXZIMXZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32P2S2/c1-13(2)19(14(3)4)21-17-10-9-11-18(12-17)22-20(15(5)6)16(7)8/h9-16H,1-8H3.
What are the key properties of [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane?
[3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane has a molecular weight of 374.54 g/mol, XLogP of 8.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-di(propan-2-yl)phosphanylsulfanylphenyl]sulfanyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 139188732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).