(2-ethyl-1,3-thiazol-4-yl)methanethiol

C6H9NS2 — CID 39099702

IUPAC(2-ethyl-1,3-thiazol-4-yl)methanethiol
SMILESCCc1nc(CS)cs1
InChIInChI=1S/C6H9NS2/c1-2-6-7-5(3-8)4-9-6/h4,8H,2-3H2,1H3
InChIKeyVVHOUFYVDGYIAJ-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.14
Rot. Bonds2

About (2-ethyl-1,3-thiazol-4-yl)methanethiol

(2-ethyl-1,3-thiazol-4-yl)methanethiol (PubChem CID 39099702) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methanethiol.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methanethiol
PubChem CID39099702
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methanethiol
SMILESCCc1nc(CS)cs1
InChIInChI=1S/C6H9NS2/c1-2-6-7-5(3-8)4-9-6/h4,8H,2-3H2,1H3
InChIKeyVVHOUFYVDGYIAJ-UHFFFAOYSA-N
XLogP2.14
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
(2-bromo-1,3-thiazol-4-yl)methanethiol
CID 71650235
(2-benzyl-1,3-thiazol-4-yl)methanethiol
CID 39099745
2-ethyl-4-methyl-1,3-thiazole
CID 27440
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methanethiol?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methanethiol (CID 39099702) is (2-ethyl-1,3-thiazol-4-yl)methanethiol.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methanethiol?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methanethiol is CCc1nc(CS)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methanethiol?
The InChIKey is VVHOUFYVDGYIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-2-6-7-5(3-8)4-9-6/h4,8H,2-3H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methanethiol?
(2-ethyl-1,3-thiazol-4-yl)methanethiol has a molecular weight of 159.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methanethiol is sourced from PubChem (CID 39099702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).