(3-methylfuran-2-yl)methylthiourea

C7H10N2OS — CID 130597728

IUPAC(3-methylfuran-2-yl)methylthiourea
SMILESCc1ccoc1CNC(N)=S
InChIInChI=1S/C7H10N2OS/c1-5-2-3-10-6(5)4-9-7(8)11/h2-3H,4H2,1H3,(H3,8,9,11)
InChIKeyCYNULONMHJHUQW-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.92
Rot. Bonds2

About (3-methylfuran-2-yl)methylthiourea

(3-methylfuran-2-yl)methylthiourea (PubChem CID 130597728) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is (3-methylfuran-2-yl)methylthiourea.

Molecular Properties

Compound Name(3-methylfuran-2-yl)methylthiourea
PubChem CID130597728
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name(3-methylfuran-2-yl)methylthiourea
SMILESCc1ccoc1CNC(N)=S
InChIInChI=1S/C7H10N2OS/c1-5-2-3-10-6(5)4-9-7(8)11/h2-3H,4H2,1H3,(H3,8,9,11)
InChIKeyCYNULONMHJHUQW-UHFFFAOYSA-N
XLogP0.92
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
3-methyl-2-[(3-methylfuran-2-yl)methylamino]butanamide
CID 103699283
2,2-difluoro-1-methyl-N-[(3-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide
CID 126791120
(2-methylphenyl)methylthiourea
CID 18399980
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103724331
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
2-ethyl-3-methylfuran;methane
CID 160795170
3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol
CID 111466539
N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine
CID 174414714
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
CID 104587012

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)methylthiourea?
The IUPAC name of (3-methylfuran-2-yl)methylthiourea (CID 130597728) is (3-methylfuran-2-yl)methylthiourea.
What is the SMILES notation for (3-methylfuran-2-yl)methylthiourea?
The canonical SMILES for (3-methylfuran-2-yl)methylthiourea is Cc1ccoc1CNC(N)=S.
What is the InChIKey of (3-methylfuran-2-yl)methylthiourea?
The InChIKey is CYNULONMHJHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-2-3-10-6(5)4-9-7(8)11/h2-3H,4H2,1H3,(H3,8,9,11).
What are the key properties of (3-methylfuran-2-yl)methylthiourea?
(3-methylfuran-2-yl)methylthiourea has a molecular weight of 170.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)methylthiourea is sourced from PubChem (CID 130597728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).