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CAS 29515-99-9 5-(Methylthio)-1H-tetrazole molecular structure lightbox
CAS RN: 29515-99-9

5-(Methylthio)-1H-tetrazole

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5 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250310 1g In stock Shanghai Inquiry
Batchno.20250622 25g Out of stock 8-10 business days Inquiry
Batchno.20251004 5g In stock Shanghai, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251227 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260421 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS29515-99-9
  • Purity/Analytical Methods: >99.0%
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29515-99-9 / 5-methylsulfanyl-2H-tetrazole

Standard CAS: 29515-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29515-99-9
Multi CAS
No
Molecular Formula
C2H4N4S
Molecular Weight
116.150000
Exact Mass
116.015667
InChI
InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey
ZBXNFTFKKOSPLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
25.96
TPSA
54.46

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.08
XLogP3
0.3
Consensus LogP
0.05
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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