S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine

C11H15NS — CID 174893542

IUPACS-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine
SMILESC=C(c1ccccc1)C(C)(C)SN
InChIInChI=1S/C11H15NS/c1-9(11(2,3)13-12)10-7-5-4-6-8-10/h4-8H,1,12H2,2-3H3
InChIKeyLWTVOFBQTLQGIJ-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.09
Rot. Bonds3

About S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine

S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine (PubChem CID 174893542) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine
PubChem CID174893542
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameS-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine
SMILESC=C(c1ccccc1)C(C)(C)SN
InChIInChI=1S/C11H15NS/c1-9(11(2,3)13-12)10-7-5-4-6-8-10/h4-8H,1,12H2,2-3H3
InChIKeyLWTVOFBQTLQGIJ-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-(2-methyl-3-thiophen-3-ylbut-3-en-2-yl)thiohydroxylamine
CID 175263837
S-(1-phenylethenyl)thiohydroxylamine
CID 152889911
(3-tert-butylperoxy-3-methylbut-1-en-2-yl)benzene
CID 154273047
1-(2-methyl-3-phenylbut-3-en-2-yl)oxyethanethiol
CID 126486622
2,3-dimethylbut-3-en-2-ylsulfanylbenzene
CID 14947992
1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene
CID 144803038
tert-butyl 2-phenylprop-2-enoate;carbamic acid
CID 174820480
2-methyl-2-methylsulfanyl-1-phenylpropan-1-one
CID 19001344
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
benzoic acid;methanamine
CID 158244769
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444

Frequently Asked Questions

What is the IUPAC name of S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine?
The IUPAC name of S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine (CID 174893542) is S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine?
The canonical SMILES for S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine is C=C(c1ccccc1)C(C)(C)SN.
What is the InChIKey of S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine?
The InChIKey is LWTVOFBQTLQGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-9(11(2,3)13-12)10-7-5-4-6-8-10/h4-8H,1,12H2,2-3H3.
What are the key properties of S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine?
S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine has a molecular weight of 193.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine is sourced from PubChem (CID 174893542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).