Home Other Building Blocks [(thiolan-2-yl)methyl]thiourea

[(thiolan-2-yl)methyl]thiourea

CAS No.:
1252797-66-2
Catalog Number:
AG01BJ3J
Molecular Formula:
C6H12N2S2
Molecular Weight:
176.3029
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Product Description
Catalog Number:
AG01BJ3J
Chemical Name:
[(thiolan-2-yl)methyl]thiourea
CAS Number:
1252797-66-2
Molecular Formula:
C6H12N2S2
Molecular Weight:
176.3029
MDL Number:
MFCD23938812
IUPAC Name:
thiolan-2-ylmethylthiourea
InChI:
InChI=1S/C6H12N2S2/c7-6(9)8-4-5-2-1-3-10-5/h5H,1-4H2,(H3,7,8,9)
InChI Key:
KBSHZLJPQNLIRN-UHFFFAOYSA-N
SMILES:
NC(=S)NCC1CCCS1
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.044g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.296g/mol
Monoisotopic Mass:
176.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties