dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane

C10H13Cl2PS — CID 18978206

IUPACdichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
SMILESCc1ccc(C(C)C)cc1P(=S)(Cl)Cl
InChIInChI=1S/C10H13Cl2PS/c1-7(2)9-5-4-8(3)10(6-9)13(11,12)14/h4-7H,1-3H3
InChIKeyAXSKGONEQJPFLB-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.53
Rot. Bonds2

About dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane

dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane (PubChem CID 18978206) has the molecular formula C10H13Cl2PS and a molecular weight of 267.16 g/mol. Its IUPAC name is dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
PubChem CID18978206
Molecular FormulaC10H13Cl2PS
Molecular Weight267.16 g/mol
Exact Mass265.99
IUPAC Namedichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
SMILESCc1ccc(C(C)C)cc1P(=S)(Cl)Cl
InChIInChI=1S/C10H13Cl2PS/c1-7(2)9-5-4-8(3)10(6-9)13(11,12)14/h4-7H,1-3H3
InChIKeyAXSKGONEQJPFLB-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
CID 141230622
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
CID 163232916
CID 163232916
2-(2-methyl-5-propan-2-ylphenyl)propane-2-thiol
CID 116866612
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
ethane;2-methyl-5-propan-2-ylbenzonitrile
CID 177048895

Frequently Asked Questions

What is the IUPAC name of dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane (CID 18978206) is dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane is Cc1ccc(C(C)C)cc1P(=S)(Cl)Cl.
What is the InChIKey of dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
The InChIKey is AXSKGONEQJPFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2PS/c1-7(2)9-5-4-8(3)10(6-9)13(11,12)14/h4-7H,1-3H3.
What are the key properties of dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane?
dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane has a molecular weight of 267.16 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2-methyl-5-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 18978206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).