(4-methylthiophen-3-yl)thiourea

C6H8N2S2 — CID 130773944

IUPAC(4-methylthiophen-3-yl)thiourea
SMILESCc1cscc1NC(N)=S
InChIInChI=1S/C6H8N2S2/c1-4-2-10-3-5(4)8-6(7)9/h2-3H,1H3,(H3,7,8,9)
InChIKeyZOMTWSPYOHTLCC-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.71
Rot. Bonds1

About (4-methylthiophen-3-yl)thiourea

(4-methylthiophen-3-yl)thiourea (PubChem CID 130773944) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)thiourea.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)thiourea
PubChem CID130773944
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name(4-methylthiophen-3-yl)thiourea
SMILESCc1cscc1NC(N)=S
InChIInChI=1S/C6H8N2S2/c1-4-2-10-3-5(4)8-6(7)9/h2-3H,1H3,(H3,7,8,9)
InChIKeyZOMTWSPYOHTLCC-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.71
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

N'-(4-methylthiophen-3-yl)oxamide
CID 131086394
1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine
CID 130892518
1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
ethane;(4-methylthiophen-3-yl)hydrazine
CID 143422051
(4-methylthiophen-3-yl)hydrazine;hydrochloride
CID 55281111
ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
CID 143490448
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496
(2,4,6-trimethylphenyl)thiourea
CID 2731118
(2-amino-6-methyl-1,3-benzothiazol-5-yl)thiourea
CID 169358383
(1,5-dimethylpyrazol-4-yl)thiourea
CID 7176013
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
[2-(2-methylphenyl)phenyl]thiourea
CID 15175535

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)thiourea?
The IUPAC name of (4-methylthiophen-3-yl)thiourea (CID 130773944) is (4-methylthiophen-3-yl)thiourea.
What is the SMILES notation for (4-methylthiophen-3-yl)thiourea?
The canonical SMILES for (4-methylthiophen-3-yl)thiourea is Cc1cscc1NC(N)=S.
What is the InChIKey of (4-methylthiophen-3-yl)thiourea?
The InChIKey is ZOMTWSPYOHTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-4-2-10-3-5(4)8-6(7)9/h2-3H,1H3,(H3,7,8,9).
What are the key properties of (4-methylthiophen-3-yl)thiourea?
(4-methylthiophen-3-yl)thiourea has a molecular weight of 172.28 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)thiourea is sourced from PubChem (CID 130773944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).