[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten

C10H13NSW — CID 177108073

IUPAC[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten
SMILESCC(C)c1cccc(SC(N)=[W])c1
InChIInChI=1S/C10H13NS.W/c1-8(2)9-4-3-5-10(6-9)12-7-11;/h3-6,8H,11H2,1-2H3;
InChIKeyNDKXBYKPCWANAC-UHFFFAOYSA-N
MW363.13 g/mol
LogP2.49
Rot. Bonds3

About [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten

[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten (PubChem CID 177108073) has the molecular formula C10H13NSW and a molecular weight of 363.13 g/mol. Its IUPAC name is [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten.

Molecular Properties

Compound Name[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten
PubChem CID177108073
Molecular FormulaC10H13NSW
Molecular Weight363.13 g/mol
Exact Mass363.03
IUPAC Name[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten
SMILESCC(C)c1cccc(SC(N)=[W])c1
InChIInChI=1S/C10H13NS.W/c1-8(2)9-4-3-5-10(6-9)12-7-11;/h3-6,8H,11H2,1-2H3;
InChIKeyNDKXBYKPCWANAC-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

triethyl-[(3-propan-2-ylphenyl)disulfanyl]azanium
CID 174730774
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1-(3-propan-2-ylphenyl)ethanamine
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1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
O-[(Z,3Z)-4-methyl-3-[(3-propan-2-ylphenyl)sulfanylmethylidene]pent-1-enyl]hydroxylamine
CID 166101317
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
CID 168719793
(1S,2S)-1-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 130804056
ethane;2-fluoro-2-(3-propan-2-ylphenyl)ethanol
CID 163257767
3-propan-2-ylphenolate
CID 101030156

Frequently Asked Questions

What is the IUPAC name of [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten?
The IUPAC name of [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten (CID 177108073) is [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten.
What is the SMILES notation for [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten?
The canonical SMILES for [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten is CC(C)c1cccc(SC(N)=[W])c1.
What is the InChIKey of [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten?
The InChIKey is NDKXBYKPCWANAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.W/c1-8(2)9-4-3-5-10(6-9)12-7-11;/h3-6,8H,11H2,1-2H3;.
What are the key properties of [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten?
[amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten has a molecular weight of 363.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3-propan-2-ylphenyl)sulfanylmethylidene]tungsten is sourced from PubChem (CID 177108073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).