3-methyl-2-methylidene-1,3-thiazole-4-thiol

C5H7NS2 — CID 151923659

IUPAC3-methyl-2-methylidene-1,3-thiazole-4-thiol
SMILESC=C1SC=C(S)N1C
InChIInChI=1S/C5H7NS2/c1-4-6(2)5(7)3-8-4/h3,7H,1H2,2H3
InChIKeySXHIWARVHWOAHI-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.86
Rot. Bonds

About 3-methyl-2-methylidene-1,3-thiazole-4-thiol

3-methyl-2-methylidene-1,3-thiazole-4-thiol (PubChem CID 151923659) has the molecular formula C5H7NS2 and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1,3-thiazole-4-thiol.

Molecular Properties

Compound Name3-methyl-2-methylidene-1,3-thiazole-4-thiol
PubChem CID151923659
Molecular FormulaC5H7NS2
Molecular Weight145.25 g/mol
Exact Mass145.00
IUPAC Name3-methyl-2-methylidene-1,3-thiazole-4-thiol
SMILESC=C1SC=C(S)N1C
InChIInChI=1S/C5H7NS2/c1-4-6(2)5(7)3-8-4/h3,7H,1H2,2H3
InChIKeySXHIWARVHWOAHI-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.86
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

(E)-1-(dimethylamino)-2-methylsulfanylethenethiolate
CID 134875844
(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine
CID 134923137
3-Methyl-4-methylsulfanyl-1,3-thiazole-2-thione
CID 89881845
3-Ethyl-4-sulfanyl-1,3-thiazole-2-thione
CID 91502158
3-sulfanyl-2H-1,3-thiazole-4-thiol
CID 150929551
3-methyl-1-sulfanylidene-2H-1,3-thiazole
CID 154634140
2H-1,3-thiazol-3-ylmethanethiol
CID 173437076
3-methyl-2H-1,3-thiazole-2-thiol
CID 19005810
(E)-1-(dimethylamino)-2-methylsulfanylethenethiol
CID 134875845

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1,3-thiazole-4-thiol?
The IUPAC name of 3-methyl-2-methylidene-1,3-thiazole-4-thiol (CID 151923659) is 3-methyl-2-methylidene-1,3-thiazole-4-thiol.
What is the SMILES notation for 3-methyl-2-methylidene-1,3-thiazole-4-thiol?
The canonical SMILES for 3-methyl-2-methylidene-1,3-thiazole-4-thiol is C=C1SC=C(S)N1C.
What is the InChIKey of 3-methyl-2-methylidene-1,3-thiazole-4-thiol?
The InChIKey is SXHIWARVHWOAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS2/c1-4-6(2)5(7)3-8-4/h3,7H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1,3-thiazole-4-thiol?
3-methyl-2-methylidene-1,3-thiazole-4-thiol has a molecular weight of 145.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1,3-thiazole-4-thiol is sourced from PubChem (CID 151923659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).