(4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol

C9H17NS2 — CID 155748976

IUPAC(4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol
SMILESCC1=C(CS)CSC(C(C)C)N1
InChIInChI=1S/C9H17NS2/c1-6(2)9-10-7(3)8(4-11)5-12-9/h6,9-11H,4-5H2,1-3H3
InChIKeyACIVWEOMGCUSKD-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.51
Rot. Bonds2

About (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol

(4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol (PubChem CID 155748976) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol.

Molecular Properties

Compound Name(4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol
PubChem CID155748976
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name(4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol
SMILESCC1=C(CS)CSC(C(C)C)N1
InChIInChI=1S/C9H17NS2/c1-6(2)9-10-7(3)8(4-11)5-12-9/h6,9-11H,4-5H2,1-3H3
InChIKeyACIVWEOMGCUSKD-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 23384098
(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 59954979
4,5-Dimethyl-2-(2-methylpropyl)-2,3-dihydro-1,3-thiazole
CID 44181957

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol?
The IUPAC name of (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol (CID 155748976) is (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol.
What is the SMILES notation for (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol?
The canonical SMILES for (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol is CC1=C(CS)CSC(C(C)C)N1.
What is the InChIKey of (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol?
The InChIKey is ACIVWEOMGCUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-6(2)9-10-7(3)8(4-11)5-12-9/h6,9-11H,4-5H2,1-3H3.
What are the key properties of (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol?
(4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol has a molecular weight of 203.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-propan-2-yl-3,6-dihydro-2H-1,3-thiazin-5-yl)methanethiol is sourced from PubChem (CID 155748976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).