Home Other Building Blocks 4-(AMINOMETHYL)TETRAHYDRO-2H-THIOPYRAN-4-OL

4-(AMINOMETHYL)TETRAHYDRO-2H-THIOPYRAN-4-OL

CAS No.:
879514-92-8
Catalog Number:
AG004D4W
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
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Product Description
Catalog Number:
AG004D4W
Chemical Name:
4-(AMINOMETHYL)TETRAHYDRO-2H-THIOPYRAN-4-OL
CAS Number:
879514-92-8
Molecular Formula:
C6H13NOS
Molecular Weight:
147.2385
MDL Number:
MFCD11040538
IUPAC Name:
4-(aminomethyl)thian-4-ol
InChI:
InChI=1S/C6H13NOS/c7-5-6(8)1-3-9-4-2-6/h8H,1-5,7H2
InChI Key:
MDACFHKAMLKPSK-UHFFFAOYSA-N
SMILES:
NCC1(O)CCSCC1
Properties
Complexity:
91.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.072g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
147.236g/mol
Monoisotopic Mass:
147.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties