4-(4-methylphosphanylphenyl)benzenethiol

C13H13PS — CID 143072743

IUPAC4-(4-methylphosphanylphenyl)benzenethiol
SMILESCPc1ccc(-c2ccc(S)cc2)cc1
InChIInChI=1S/C13H13PS/c1-14-12-6-2-10(3-7-12)11-4-8-13(15)9-5-11/h2-9,14-15H,1H3
InChIKeyKOCVVYQUSCJPQK-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.58
Rot. Bonds2

About 4-(4-methylphosphanylphenyl)benzenethiol

4-(4-methylphosphanylphenyl)benzenethiol (PubChem CID 143072743) has the molecular formula C13H13PS and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(4-methylphosphanylphenyl)benzenethiol.

Molecular Properties

Compound Name4-(4-methylphosphanylphenyl)benzenethiol
PubChem CID143072743
Molecular FormulaC13H13PS
Molecular Weight232.29 g/mol
Exact Mass232.05
IUPAC Name4-(4-methylphosphanylphenyl)benzenethiol
SMILESCPc1ccc(-c2ccc(S)cc2)cc1
InChIInChI=1S/C13H13PS/c1-14-12-6-2-10(3-7-12)11-4-8-13(15)9-5-11/h2-9,14-15H,1H3
InChIKeyKOCVVYQUSCJPQK-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl-(4-phenylphenyl)phosphane
CID 156834101
CID 118643196
CID 118643196
CID 161406498
CID 161406498
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
2,6-dimethyl-4-(4-sulfanylphenyl)phenol
CID 129086516
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
CID 123382186
gold(1+);4-sulfanylphenol
CID 19367562
4-methylbenzenethiol;phenol
CID 174799239
4-(4-octadecylphenyl)benzenethiol
CID 134936183
4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
CID 143197342
benzenethiol;ethane;4-methylbenzenethiol
CID 144560916

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphosphanylphenyl)benzenethiol?
The IUPAC name of 4-(4-methylphosphanylphenyl)benzenethiol (CID 143072743) is 4-(4-methylphosphanylphenyl)benzenethiol.
What is the SMILES notation for 4-(4-methylphosphanylphenyl)benzenethiol?
The canonical SMILES for 4-(4-methylphosphanylphenyl)benzenethiol is CPc1ccc(-c2ccc(S)cc2)cc1.
What is the InChIKey of 4-(4-methylphosphanylphenyl)benzenethiol?
The InChIKey is KOCVVYQUSCJPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13PS/c1-14-12-6-2-10(3-7-12)11-4-8-13(15)9-5-11/h2-9,14-15H,1H3.
What are the key properties of 4-(4-methylphosphanylphenyl)benzenethiol?
4-(4-methylphosphanylphenyl)benzenethiol has a molecular weight of 232.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphosphanylphenyl)benzenethiol is sourced from PubChem (CID 143072743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).