(Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium

C19H30ClPS — CID 177418599

IUPAC(Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/[P+]([S-])=C/Cl)c(C(C)(C)C)c1
InChIInChI=1S/C19H30ClPS/c1-17(2,3)13-10-14(18(4,5)6)16(21(22)12-20)15(11-13)19(7,8)9/h10-12H,1-9H3
InChIKeyVRXKCOSMDNCEHH-UHFFFAOYSA-N
MW356.94 g/mol
LogP6.15
Rot. Bonds1

About (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium

(Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium (PubChem CID 177418599) has the molecular formula C19H30ClPS and a molecular weight of 356.94 g/mol. Its IUPAC name is (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium.

Molecular Properties

Compound Name(Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium
PubChem CID177418599
Molecular FormulaC19H30ClPS
Molecular Weight356.94 g/mol
Exact Mass356.15
IUPAC Name(Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/[P+]([S-])=C/Cl)c(C(C)(C)C)c1
InChIInChI=1S/C19H30ClPS/c1-17(2,3)13-10-14(18(4,5)6)16(21(22)12-20)15(11-13)19(7,8)9/h10-12H,1-9H3
InChIKeyVRXKCOSMDNCEHH-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.94
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,5-tetratert-butylbenzene
CID 18679123
chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
CID 14494179
oxo-sulfido-(2,4,6-tritert-butylphenyl)azanium
CID 4079261
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
CID 24809192
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
ditert-butyl-(2,4,6-tritert-butylphenyl)borane
CID 164988762
CID 15962849
CID 15962849
(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141
1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl
CID 165356532

Frequently Asked Questions

What is the IUPAC name of (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium?
The IUPAC name of (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium (CID 177418599) is (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium.
What is the SMILES notation for (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium?
The canonical SMILES for (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium is CC(C)(C)c1cc(C(C)(C)C)c(/[P+]([S-])=C/Cl)c(C(C)(C)C)c1.
What is the InChIKey of (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium?
The InChIKey is VRXKCOSMDNCEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClPS/c1-17(2,3)13-10-14(18(4,5)6)16(21(22)12-20)15(11-13)19(7,8)9/h10-12H,1-9H3.
What are the key properties of (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium?
(Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium has a molecular weight of 356.94 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-chloromethylidene-sulfido-(2,4,6-tritert-butylphenyl)phosphanium is sourced from PubChem (CID 177418599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).